(Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-5-ene-2,3-diol

C15H26O2 — CID 72697109

IUPAC(Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-5-ene-2,3-diol
SMILESCC1=CCC(/C(C)=C\CC(O)C(C)(C)O)CC1
InChIInChI=1S/C15H26O2/c1-11-5-8-13(9-6-11)12(2)7-10-14(16)15(3,4)17/h5,7,13-14,16-17H,6,8-10H2,1-4H3/b12-7-
InChIKeySMFKOVDEXIFUCB-GHXNOFRVSA-N
MW238.37 g/mol
LogP3.20
Rot. Bonds4

About (Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-5-ene-2,3-diol

(Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-5-ene-2,3-diol (PubChem CID 72697109) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-5-ene-2,3-diol.

Molecular Properties

Compound Name(Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-5-ene-2,3-diol
PubChem CID72697109
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-5-ene-2,3-diol
SMILESCC1=CCC(/C(C)=C\CC(O)C(C)(C)O)CC1
InChIInChI=1S/C15H26O2/c1-11-5-8-13(9-6-11)12(2)7-10-14(16)15(3,4)17/h5,7,13-14,16-17H,6,8-10H2,1-4H3/b12-7-
InChIKeySMFKOVDEXIFUCB-GHXNOFRVSA-N
XLogP3.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Uroterpenol
CID 93024
1-Terpinen-5-ol
CID 68124095
p-Mentha-1(6),8-dien-3-ol
CID 14844669
(1R,2R,6S)-3-methyl-6-(1-methylethenyl)cyclohex-3-ene-1,2-diol
CID 53257409
cis-p-Menth-4-en-1,2-diol
CID 91748716
(1r,2r)-p-Menth-4(5)-ene-1,2-diol
CID 14262893
(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propane-1,2-diol
CID 14954469
(1S,2S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol
CID 53261055
(1R,2S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol
CID 53261056
(1S,2R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol
CID 53261058
(1R,2R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol
CID 53261209
(1S,2R,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol
CID 56666463

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-5-ene-2,3-diol?
The IUPAC name of (Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-5-ene-2,3-diol (CID 72697109) is (Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-5-ene-2,3-diol.
What is the SMILES notation for (Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-5-ene-2,3-diol?
The canonical SMILES for (Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-5-ene-2,3-diol is CC1=CCC(/C(C)=C\CC(O)C(C)(C)O)CC1.
What is the InChIKey of (Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-5-ene-2,3-diol?
The InChIKey is SMFKOVDEXIFUCB-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H26O2/c1-11-5-8-13(9-6-11)12(2)7-10-14(16)15(3,4)17/h5,7,13-14,16-17H,6,8-10H2,1-4H3/b12-7-.
What are the key properties of (Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-5-ene-2,3-diol?
(Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-5-ene-2,3-diol has a molecular weight of 238.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-5-ene-2,3-diol is sourced from PubChem (CID 72697109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).