(E,6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-1-ol

C15H24O — CID 6438821

IUPAC(E,6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-1-ol
SMILESCC1=CC/C(=C(\C)CC/C=C(\C)CO)CC1
InChIInChI=1S/C15H24O/c1-12-7-9-15(10-8-12)14(3)6-4-5-13(2)11-16/h5,7,16H,4,6,8-11H2,1-3H3/b13-5+,15-14-
InChIKeyZLZBWUVBBIRCMD-OHNCSJITSA-N
MW220.36 g/mol
LogP4.15
Rot. Bonds4

About (E,6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-1-ol

(E,6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-1-ol (PubChem CID 6438821) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (E,6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-1-ol.

Molecular Properties

Compound Name(E,6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-1-ol
PubChem CID6438821
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(E,6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-1-ol
SMILESCC1=CC/C(=C(\C)CC/C=C(\C)CO)CC1
InChIInChI=1S/C15H24O/c1-12-7-9-15(10-8-12)14(3)6-4-5-13(2)11-16/h5,7,16H,4,6,8-11H2,1-3H3/b13-5+,15-14-
InChIKeyZLZBWUVBBIRCMD-OHNCSJITSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.15
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,6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-1-ol?
The IUPAC name of (E,6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-1-ol (CID 6438821) is (E,6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-1-ol.
What is the SMILES notation for (E,6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-1-ol?
The canonical SMILES for (E,6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-1-ol is CC1=CC/C(=C(\C)CC/C=C(\C)CO)CC1.
What is the InChIKey of (E,6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-1-ol?
The InChIKey is ZLZBWUVBBIRCMD-OHNCSJITSA-N. The full InChI is InChI=1S/C15H24O/c1-12-7-9-15(10-8-12)14(3)6-4-5-13(2)11-16/h5,7,16H,4,6,8-11H2,1-3H3/b13-5+,15-14-.
What are the key properties of (E,6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-1-ol?
(E,6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-1-ol has a molecular weight of 220.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-1-ol is sourced from PubChem (CID 6438821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).