(1S,2R,4R)-4-methyl-2-(5-methylhexa-1,5-dien-2-yloxy)-1-propan-2-ylcyclohexane

C17H30O — CID 145372734

IUPAC(1S,2R,4R)-4-methyl-2-(5-methylhexa-1,5-dien-2-yloxy)-1-propan-2-ylcyclohexane
SMILESC=C(C)CCC(=C)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C17H30O/c1-12(2)7-9-15(6)18-17-11-14(5)8-10-16(17)13(3)4/h13-14,16-17H,1,6-11H2,2-5H3/t14-,16+,17-/m1/s1
InChIKeyYHHSIMWFELGHCW-HYVNUMGLSA-N
MW250.43 g/mol
LogP5.33
Rot. Bonds6

About (1S,2R,4R)-4-methyl-2-(5-methylhexa-1,5-dien-2-yloxy)-1-propan-2-ylcyclohexane

(1S,2R,4R)-4-methyl-2-(5-methylhexa-1,5-dien-2-yloxy)-1-propan-2-ylcyclohexane (PubChem CID 145372734) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is (1S,2R,4R)-4-methyl-2-(5-methylhexa-1,5-dien-2-yloxy)-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name(1S,2R,4R)-4-methyl-2-(5-methylhexa-1,5-dien-2-yloxy)-1-propan-2-ylcyclohexane
PubChem CID145372734
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name(1S,2R,4R)-4-methyl-2-(5-methylhexa-1,5-dien-2-yloxy)-1-propan-2-ylcyclohexane
SMILESC=C(C)CCC(=C)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C17H30O/c1-12(2)7-9-15(6)18-17-11-14(5)8-10-16(17)13(3)4/h13-14,16-17H,1,6-11H2,2-5H3/t14-,16+,17-/m1/s1
InChIKeyYHHSIMWFELGHCW-HYVNUMGLSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,2R,4R)-4-methyl-2-(5-methylhexa-1,5-dien-2-yloxy)-1-propan-2-ylcyclohexane with MolForge

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Launch Full Analysis

Related Compounds

(1S,2R,4R)-4-methyl-1-prop-1-en-2-yl-2-prop-2-ynoxycyclohexane
CID 44433589
1-Fluoro-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane
CID 10442437
(1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-1-en-2-yloxycyclohexane
CID 10888855
(1S,2R,4R)-2-[(Z)-but-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane
CID 13808327
(1S,2R,4R)-2-[(E)-but-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane
CID 13808328
(1S,2R,4R)-2-[(1Z)-hexa-1,5-dienoxy]-4-methyl-1-propan-2-ylcyclohexane
CID 15449907
(1S,2R,4R)-2-[(E)-1-bromo-4-methylpent-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane
CID 15530587
(1S,2R,4R)-4-methyl-2-propa-1,2-dienoxy-1-propan-2-ylcyclohexane
CID 101669549
(1S,2R,4R)-2-but-1-enoxy-4-methyl-1-propan-2-ylcyclohexane
CID 134857961
trans-(1R,2R)-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane
CID 134861120
(1S,2R,4R)-2-[(1E,3E)-4-methoxy-2-methylbuta-1,3-dienoxy]-4-methyl-1-propan-2-ylcyclohexane
CID 134900768
(1S,2R,4R)-2-[(1Z,3E)-4-methoxy-2-methylbuta-1,3-dienoxy]-4-methyl-1-propan-2-ylcyclohexane
CID 134900860

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-4-methyl-2-(5-methylhexa-1,5-dien-2-yloxy)-1-propan-2-ylcyclohexane?
The IUPAC name of (1S,2R,4R)-4-methyl-2-(5-methylhexa-1,5-dien-2-yloxy)-1-propan-2-ylcyclohexane (CID 145372734) is (1S,2R,4R)-4-methyl-2-(5-methylhexa-1,5-dien-2-yloxy)-1-propan-2-ylcyclohexane.
What is the SMILES notation for (1S,2R,4R)-4-methyl-2-(5-methylhexa-1,5-dien-2-yloxy)-1-propan-2-ylcyclohexane?
The canonical SMILES for (1S,2R,4R)-4-methyl-2-(5-methylhexa-1,5-dien-2-yloxy)-1-propan-2-ylcyclohexane is C=C(C)CCC(=C)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of (1S,2R,4R)-4-methyl-2-(5-methylhexa-1,5-dien-2-yloxy)-1-propan-2-ylcyclohexane?
The InChIKey is YHHSIMWFELGHCW-HYVNUMGLSA-N. The full InChI is InChI=1S/C17H30O/c1-12(2)7-9-15(6)18-17-11-14(5)8-10-16(17)13(3)4/h13-14,16-17H,1,6-11H2,2-5H3/t14-,16+,17-/m1/s1.
What are the key properties of (1S,2R,4R)-4-methyl-2-(5-methylhexa-1,5-dien-2-yloxy)-1-propan-2-ylcyclohexane?
(1S,2R,4R)-4-methyl-2-(5-methylhexa-1,5-dien-2-yloxy)-1-propan-2-ylcyclohexane has a molecular weight of 250.43 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-4-methyl-2-(5-methylhexa-1,5-dien-2-yloxy)-1-propan-2-ylcyclohexane is sourced from PubChem (CID 145372734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).