(3E,5E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-3,5-dien-2-ol

C15H24O — CID 118715382

IUPAC(3E,5E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-3,5-dien-2-ol
SMILESCC1=CCC(/C(C)=C/C=C/C(C)(C)O)CC1
InChIInChI=1S/C15H24O/c1-12-7-9-14(10-8-12)13(2)6-5-11-15(3,4)16/h5-7,11,14,16H,8-10H2,1-4H3/b11-5+,13-6+
InChIKeyZNNIYXZQRRBFOX-LRPJOWSMSA-N
MW220.36 g/mol
LogP4.01
Rot. Bonds3

About (3E,5E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-3,5-dien-2-ol

(3E,5E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-3,5-dien-2-ol (PubChem CID 118715382) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (3E,5E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E,5E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-3,5-dien-2-ol
PubChem CID118715382
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(3E,5E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-3,5-dien-2-ol
SMILESCC1=CCC(/C(C)=C/C=C/C(C)(C)O)CC1
InChIInChI=1S/C15H24O/c1-12-7-9-14(10-8-12)13(2)6-5-11-15(3,4)16/h5-7,11,14,16H,8-10H2,1-4H3/b11-5+,13-6+
InChIKeyZNNIYXZQRRBFOX-LRPJOWSMSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol
CID 11105550
trans-1-Methyl-4-(1-methylvinyl)cyclohex-2-en-1-ol
CID 155626
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, trans-
CID 12618691
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1R,4R)-rel-
CID 111274
1,4-Pentadien-3-ol, 3-methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CID 6436846
p-Mentha-2,8-dien-1-ol, (Z)-
CID 5319363
Eunicol
CID 56951445
(R)-2,7(14),9-Bisabolatrien-11-ol
CID 101417476
2,6,10-Trimethyldodeca-2,7(e),9(e),11-tetraen-6-ol
CID 11117576
xi-p-Mentha-1(7),2-dien-4-ol
CID 5319360
(2E,5E,7E,11E)-1,5,11-trimethyl-8-propan-2-ylcyclotetradeca-2,5,7,11-tetraen-1-ol
CID 21724351
(3E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-dien-2-ol
CID 163019567

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-3,5-dien-2-ol?
The IUPAC name of (3E,5E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-3,5-dien-2-ol (CID 118715382) is (3E,5E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-3,5-dien-2-ol.
What is the SMILES notation for (3E,5E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-3,5-dien-2-ol?
The canonical SMILES for (3E,5E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-3,5-dien-2-ol is CC1=CCC(/C(C)=C/C=C/C(C)(C)O)CC1.
What is the InChIKey of (3E,5E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-3,5-dien-2-ol?
The InChIKey is ZNNIYXZQRRBFOX-LRPJOWSMSA-N. The full InChI is InChI=1S/C15H24O/c1-12-7-9-14(10-8-12)13(2)6-5-11-15(3,4)16/h5-7,11,14,16H,8-10H2,1-4H3/b11-5+,13-6+.
What are the key properties of (3E,5E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-3,5-dien-2-ol?
(3E,5E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-3,5-dien-2-ol has a molecular weight of 220.36 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-3,5-dien-2-ol is sourced from PubChem (CID 118715382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).