bis((1S,2S,4R)-1,2-dimethyl-4-prop-1-en-2-ylcyclohexan-1-ol);(5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol;[(1R,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanolate;methane;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol;(4R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane

C73H147O7- — CID 160601522

IUPACbis((1S,2S,4R)-1,2-dimethyl-4-prop-1-en-2-ylcyclohexan-1-ol);(5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol;[(1R,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanolate;methane;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol;(4R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
SMILESC.C.C.C.C.C.C.C.C.C=C(C)[C@@H]1CCC(C)(C)C(O)C1.C=C(C)[C@@H]1CCC2(C)OC2C1.C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](C)C1.C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](C)C1.C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](C[O-])C1.C=C(C)[C@H]1C=C[C@@](C)(O)CC1
InChIInChI=1S/C11H19O2.3C11H20O.2C10H16O.9CH4/c1-8(2)9-4-5-11(3,13)10(6-9)7-12;1-8(2)9-5-6-11(3,4)10(12)7-9;2*1-8(2)10-5-6-11(4,12)9(3)7-10;1-7(2)8-4-5-10(3)9(6-8)11-10;1-8(2)9-4-6-10(3,11)7-5-9;;;;;;;;;/h9-10,13H,1,4-7H2,2-3H3;3*9-10,12H,1,5-7H2,2-4H3;8-9H,1,4-6H2,2-3H3;4,6,9,11H,1,5,7H2,2-3H3;9*1H4/q-1;;;;;;;;;;;;;;/t9-,10-,11+;9-,10?;2*9-,10+,11-;8-,9?,10?;9-,10+;;;;;;;;;/m110010........./s1
InChIKeyREILYWXACPRAMC-FNYJAURASA-N
MW1136.97 g/mol
LogP19.86
Rot. Bonds7

About bis((1S,2S,4R)-1,2-dimethyl-4-prop-1-en-2-ylcyclohexan-1-ol);(5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol;[(1R,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanolate;methane;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol;(4R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane

bis((1S,2S,4R)-1,2-dimethyl-4-prop-1-en-2-ylcyclohexan-1-ol);(5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol;[(1R,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanolate;methane;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol;(4R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane (PubChem CID 160601522) has the molecular formula C73H147O7- and a molecular weight of 1136.97 g/mol. Its IUPAC name is bis((1S,2S,4R)-1,2-dimethyl-4-prop-1-en-2-ylcyclohexan-1-ol);(5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol;[(1R,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanolate;methane;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol;(4R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Namebis((1S,2S,4R)-1,2-dimethyl-4-prop-1-en-2-ylcyclohexan-1-ol);(5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol;[(1R,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanolate;methane;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol;(4R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
PubChem CID160601522
Molecular FormulaC73H147O7-
Molecular Weight1136.97 g/mol
Exact Mass1136.12
IUPAC Namebis((1S,2S,4R)-1,2-dimethyl-4-prop-1-en-2-ylcyclohexan-1-ol);(5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol;[(1R,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanolate;methane;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol;(4R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
SMILESC.C.C.C.C.C.C.C.C.C=C(C)[C@@H]1CCC(C)(C)C(O)C1.C=C(C)[C@@H]1CCC2(C)OC2C1.C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](C)C1.C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](C)C1.C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](C[O-])C1.C=C(C)[C@H]1C=C[C@@](C)(O)CC1
InChIInChI=1S/C11H19O2.3C11H20O.2C10H16O.9CH4/c1-8(2)9-4-5-11(3,13)10(6-9)7-12;1-8(2)9-5-6-11(3,4)10(12)7-9;2*1-8(2)10-5-6-11(4,12)9(3)7-10;1-7(2)8-4-5-10(3)9(6-8)11-10;1-8(2)9-4-6-10(3,11)7-5-9;;;;;;;;;/h9-10,13H,1,4-7H2,2-3H3;3*9-10,12H,1,5-7H2,2-4H3;8-9H,1,4-6H2,2-3H3;4,6,9,11H,1,5,7H2,2-3H3;9*1H4/q-1;;;;;;;;;;;;;;/t9-,10-,11+;9-,10?;2*9-,10+,11-;8-,9?,10?;9-,10+;;;;;;;;;/m110010........./s1
InChIKeyREILYWXACPRAMC-FNYJAURASA-N
XLogP19.86
TPSA136.74 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001136.97
LogP ≤ 519.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze bis((1S,2S,4R)-1,2-dimethyl-4-prop-1-en-2-ylcyclohexan-1-ol);(5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol;[(1R,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanolate;methane;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol;(4R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane with MolForge

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Related Compounds

bis((1S,2S,4R)-1,2-dimethyl-4-prop-1-en-2-ylcyclohexan-1-ol);(5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol;[(1R,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanolate;methane;(1S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol;(4R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
CID 160601523
(4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol;(4R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane;sulfanylidene-[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 157276435
(1S,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 12618691
argon;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 159755681
(1S,2R,4S)-1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol
CID 86310295
1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 527060
1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-diene
CID 73209089
(1S,4R,6R)-1-methyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]-7-oxabicyclo[4.1.0]heptane
CID 155291223
(4R,6S)-1-methyl-4-[(2Z)-6-methylhepta-2,5-dien-2-yl]-7-oxabicyclo[4.1.0]heptane
CID 86744464
(1S,2S,5R)-2-hydroxy-N,N,2-trimethyl-5-prop-1-en-2-ylcyclohexan-1-amine oxide
CID 71520154
1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 14263532
(1R,4S)-1-ethyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 130265222

Frequently Asked Questions

What is the IUPAC name of bis((1S,2S,4R)-1,2-dimethyl-4-prop-1-en-2-ylcyclohexan-1-ol);(5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol;[(1R,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanolate;methane;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol;(4R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of bis((1S,2S,4R)-1,2-dimethyl-4-prop-1-en-2-ylcyclohexan-1-ol);(5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol;[(1R,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanolate;methane;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol;(4R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane (CID 160601522) is bis((1S,2S,4R)-1,2-dimethyl-4-prop-1-en-2-ylcyclohexan-1-ol);(5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol;[(1R,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanolate;methane;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol;(4R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for bis((1S,2S,4R)-1,2-dimethyl-4-prop-1-en-2-ylcyclohexan-1-ol);(5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol;[(1R,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanolate;methane;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol;(4R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for bis((1S,2S,4R)-1,2-dimethyl-4-prop-1-en-2-ylcyclohexan-1-ol);(5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol;[(1R,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanolate;methane;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol;(4R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane is C.C.C.C.C.C.C.C.C.C=C(C)[C@@H]1CCC(C)(C)C(O)C1.C=C(C)[C@@H]1CCC2(C)OC2C1.C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](C)C1.C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](C)C1.C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](C[O-])C1.C=C(C)[C@H]1C=C[C@@](C)(O)CC1.
What is the InChIKey of bis((1S,2S,4R)-1,2-dimethyl-4-prop-1-en-2-ylcyclohexan-1-ol);(5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol;[(1R,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanolate;methane;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol;(4R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is REILYWXACPRAMC-FNYJAURASA-N. The full InChI is InChI=1S/C11H19O2.3C11H20O.2C10H16O.9CH4/c1-8(2)9-4-5-11(3,13)10(6-9)7-12;1-8(2)9-5-6-11(3,4)10(12)7-9;2*1-8(2)10-5-6-11(4,12)9(3)7-10;1-7(2)8-4-5-10(3)9(6-8)11-10;1-8(2)9-4-6-10(3,11)7-5-9;;;;;;;;;/h9-10,13H,1,4-7H2,2-3H3;3*9-10,12H,1,5-7H2,2-4H3;8-9H,1,4-6H2,2-3H3;4,6,9,11H,1,5,7H2,2-3H3;9*1H4/q-1;;;;;;;;;;;;;;/t9-,10-,11+;9-,10?;2*9-,10+,11-;8-,9?,10?;9-,10+;;;;;;;;;/m110010........./s1.
What are the key properties of bis((1S,2S,4R)-1,2-dimethyl-4-prop-1-en-2-ylcyclohexan-1-ol);(5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol;[(1R,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanolate;methane;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol;(4R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane?
bis((1S,2S,4R)-1,2-dimethyl-4-prop-1-en-2-ylcyclohexan-1-ol);(5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol;[(1R,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanolate;methane;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol;(4R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 1136.97 g/mol, XLogP of 19.86, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis((1S,2S,4R)-1,2-dimethyl-4-prop-1-en-2-ylcyclohexan-1-ol);(5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol;[(1R,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanolate;methane;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol;(4R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 160601522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).