(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-4-en-1-ol

C16H28O — CID 5372327

IUPAC(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-4-en-1-ol
SMILESCC1=C(C/C=C(\C)CCCO)C(C)(C)CCC1
InChIInChI=1S/C16H28O/c1-13(7-6-12-17)9-10-15-14(2)8-5-11-16(15,3)4/h9,17H,5-8,10-12H2,1-4H3/b13-9+
InChIKeyRDYSZUCEVQRYDZ-UKTHLTGXSA-N
MW236.40 g/mol
LogP4.62
Rot. Bonds5

About (E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-4-en-1-ol

(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-4-en-1-ol (PubChem CID 5372327) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-4-en-1-ol.

Molecular Properties

Compound Name(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-4-en-1-ol
PubChem CID5372327
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-4-en-1-ol
SMILESCC1=C(C/C=C(\C)CCCO)C(C)(C)CCC1
InChIInChI=1S/C16H28O/c1-13(7-6-12-17)9-10-15-14(2)8-5-11-16(15,3)4/h9,17H,5-8,10-12H2,1-4H3/b13-9+
InChIKeyRDYSZUCEVQRYDZ-UKTHLTGXSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-4-en-1-ol with MolForge

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Related Compounds

(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-en-1-ol
CID 5372328
(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol
CID 11042317
(4E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,4-dien-1-one
CID 18653756
(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-2-en-1-amine
CID 53361964
[3-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-2-enyl] acetate;molecular iodine
CID 91120791
(E)-9-methyl-11-(2,6,6-trimethylcyclohexen-1-yl)undec-8-en-2-one
CID 167089610
(2E,4E,6R,7E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,7-triene-1,6-diol
CID 95560404
(Z)-N,N,4-trimethyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enamide
CID 10588597
(6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienal
CID 165111449
3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enal
CID 141476542
(2E,4E,6Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6-triene-1,6-diol
CID 10380340
(E,2E)-2-ethylidene-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enal
CID 15381898

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-4-en-1-ol?
The IUPAC name of (E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-4-en-1-ol (CID 5372327) is (E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-4-en-1-ol.
What is the SMILES notation for (E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-4-en-1-ol?
The canonical SMILES for (E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-4-en-1-ol is CC1=C(C/C=C(\C)CCCO)C(C)(C)CCC1.
What is the InChIKey of (E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-4-en-1-ol?
The InChIKey is RDYSZUCEVQRYDZ-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H28O/c1-13(7-6-12-17)9-10-15-14(2)8-5-11-16(15,3)4/h9,17H,5-8,10-12H2,1-4H3/b13-9+.
What are the key properties of (E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-4-en-1-ol?
(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-4-en-1-ol has a molecular weight of 236.40 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-4-en-1-ol is sourced from PubChem (CID 5372327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).