(E)-5-(1,4-dimethylcyclohex-3-en-1-yl)-2-methylhex-3-en-2-ol

C15H26O — CID 22759678

IUPAC(E)-5-(1,4-dimethylcyclohex-3-en-1-yl)-2-methylhex-3-en-2-ol
SMILESCC1=CCC(C)(C(C)/C=C/C(C)(C)O)CC1
InChIInChI=1S/C15H26O/c1-12-6-10-15(5,11-7-12)13(2)8-9-14(3,4)16/h6,8-9,13,16H,7,10-11H2,1-5H3/b9-8+
InChIKeyOFMUPXOHWBIXIF-CMDGGOBGSA-N
MW222.37 g/mol
LogP4.09
Rot. Bonds3

About (E)-5-(1,4-dimethylcyclohex-3-en-1-yl)-2-methylhex-3-en-2-ol

(E)-5-(1,4-dimethylcyclohex-3-en-1-yl)-2-methylhex-3-en-2-ol (PubChem CID 22759678) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (E)-5-(1,4-dimethylcyclohex-3-en-1-yl)-2-methylhex-3-en-2-ol.

Molecular Properties

Compound Name(E)-5-(1,4-dimethylcyclohex-3-en-1-yl)-2-methylhex-3-en-2-ol
PubChem CID22759678
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(E)-5-(1,4-dimethylcyclohex-3-en-1-yl)-2-methylhex-3-en-2-ol
SMILESCC1=CCC(C)(C(C)/C=C/C(C)(C)O)CC1
InChIInChI=1S/C15H26O/c1-12-6-10-15(5,11-7-12)13(2)8-9-14(3,4)16/h6,8-9,13,16H,7,10-11H2,1-5H3/b9-8+
InChIKeyOFMUPXOHWBIXIF-CMDGGOBGSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-(1,4-dimethylcyclohex-3-en-1-yl)-2-methylhex-3-en-2-ol?
The IUPAC name of (E)-5-(1,4-dimethylcyclohex-3-en-1-yl)-2-methylhex-3-en-2-ol (CID 22759678) is (E)-5-(1,4-dimethylcyclohex-3-en-1-yl)-2-methylhex-3-en-2-ol.
What is the SMILES notation for (E)-5-(1,4-dimethylcyclohex-3-en-1-yl)-2-methylhex-3-en-2-ol?
The canonical SMILES for (E)-5-(1,4-dimethylcyclohex-3-en-1-yl)-2-methylhex-3-en-2-ol is CC1=CCC(C)(C(C)/C=C/C(C)(C)O)CC1.
What is the InChIKey of (E)-5-(1,4-dimethylcyclohex-3-en-1-yl)-2-methylhex-3-en-2-ol?
The InChIKey is OFMUPXOHWBIXIF-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H26O/c1-12-6-10-15(5,11-7-12)13(2)8-9-14(3,4)16/h6,8-9,13,16H,7,10-11H2,1-5H3/b9-8+.
What are the key properties of (E)-5-(1,4-dimethylcyclohex-3-en-1-yl)-2-methylhex-3-en-2-ol?
(E)-5-(1,4-dimethylcyclohex-3-en-1-yl)-2-methylhex-3-en-2-ol has a molecular weight of 222.37 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(1,4-dimethylcyclohex-3-en-1-yl)-2-methylhex-3-en-2-ol is sourced from PubChem (CID 22759678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).