(1R,2S,4R)-4-(2-methoxypropan-2-yl)-1-methyl-1,2-bis(prop-1-en-2-yl)cyclohexane

C17H30O — CID 138732643

IUPAC(1R,2S,4R)-4-(2-methoxypropan-2-yl)-1-methyl-1,2-bis(prop-1-en-2-yl)cyclohexane
SMILESC=C(C)[C@@H]1C[C@H](C(C)(C)OC)CC[C@@]1(C)C(=C)C
InChIInChI=1S/C17H30O/c1-12(2)15-11-14(16(5,6)18-8)9-10-17(15,7)13(3)4/h14-15H,1,3,9-11H2,2,4-8H3/t14-,15+,17+/m1/s1
InChIKeyZKOPKKMKTAMGET-VYDXJSESSA-N
MW250.43 g/mol
LogP4.99
Rot. Bonds4

About (1R,2S,4R)-4-(2-methoxypropan-2-yl)-1-methyl-1,2-bis(prop-1-en-2-yl)cyclohexane

(1R,2S,4R)-4-(2-methoxypropan-2-yl)-1-methyl-1,2-bis(prop-1-en-2-yl)cyclohexane (PubChem CID 138732643) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is (1R,2S,4R)-4-(2-methoxypropan-2-yl)-1-methyl-1,2-bis(prop-1-en-2-yl)cyclohexane.

Molecular Properties

Compound Name(1R,2S,4R)-4-(2-methoxypropan-2-yl)-1-methyl-1,2-bis(prop-1-en-2-yl)cyclohexane
PubChem CID138732643
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name(1R,2S,4R)-4-(2-methoxypropan-2-yl)-1-methyl-1,2-bis(prop-1-en-2-yl)cyclohexane
SMILESC=C(C)[C@@H]1C[C@H](C(C)(C)OC)CC[C@@]1(C)C(=C)C
InChIInChI=1S/C17H30O/c1-12(2)15-11-14(16(5,6)18-8)9-10-17(15,7)13(3)4/h14-15H,1,3,9-11H2,2,4-8H3/t14-,15+,17+/m1/s1
InChIKeyZKOPKKMKTAMGET-VYDXJSESSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Elemol
CID 92138
Bicyclo[4.3.1]decane, 3-methoxy-7,7-dimethyl-10-methylene-
CID 21997002
2-(4-Ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexyl)propan-2-ol
CID 547972
Npc49026
CID 6429032
2-Methoxy-2,6,6-trimethyl-9-methylenebicyclo[3.3.1]nonane
CID 19780777
epi-alpha-Elemol
CID 20055540
(1S,2S,4R)-1-ethenyl-4-(3-methoxyprop-1-en-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane
CID 44571135
2-[(1R,3R,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol
CID 20057139
[1R-[1alpha,3alpha,4beta]]-4-Ethenyl-alpha,alpha,4-trimethyl-3-[1-methylethenyl]cyclohexanemethanol
CID 11064030
2-((1R,3S,4R)-4-Methyl-3-(prop-1-en-2-yl)-4-vinylcyclohexyl)propan-2-ol
CID 10889505
(3R,4aR,5R,8aR)-5-methoxy-5,8a-dimethyl-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene
CID 162892116
2-[(1S,3S,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol
CID 162922485

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-4-(2-methoxypropan-2-yl)-1-methyl-1,2-bis(prop-1-en-2-yl)cyclohexane?
The IUPAC name of (1R,2S,4R)-4-(2-methoxypropan-2-yl)-1-methyl-1,2-bis(prop-1-en-2-yl)cyclohexane (CID 138732643) is (1R,2S,4R)-4-(2-methoxypropan-2-yl)-1-methyl-1,2-bis(prop-1-en-2-yl)cyclohexane.
What is the SMILES notation for (1R,2S,4R)-4-(2-methoxypropan-2-yl)-1-methyl-1,2-bis(prop-1-en-2-yl)cyclohexane?
The canonical SMILES for (1R,2S,4R)-4-(2-methoxypropan-2-yl)-1-methyl-1,2-bis(prop-1-en-2-yl)cyclohexane is C=C(C)[C@@H]1C[C@H](C(C)(C)OC)CC[C@@]1(C)C(=C)C.
What is the InChIKey of (1R,2S,4R)-4-(2-methoxypropan-2-yl)-1-methyl-1,2-bis(prop-1-en-2-yl)cyclohexane?
The InChIKey is ZKOPKKMKTAMGET-VYDXJSESSA-N. The full InChI is InChI=1S/C17H30O/c1-12(2)15-11-14(16(5,6)18-8)9-10-17(15,7)13(3)4/h14-15H,1,3,9-11H2,2,4-8H3/t14-,15+,17+/m1/s1.
What are the key properties of (1R,2S,4R)-4-(2-methoxypropan-2-yl)-1-methyl-1,2-bis(prop-1-en-2-yl)cyclohexane?
(1R,2S,4R)-4-(2-methoxypropan-2-yl)-1-methyl-1,2-bis(prop-1-en-2-yl)cyclohexane has a molecular weight of 250.43 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-4-(2-methoxypropan-2-yl)-1-methyl-1,2-bis(prop-1-en-2-yl)cyclohexane is sourced from PubChem (CID 138732643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).