(Z,6R)-2-methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)hept-2-en-1-ol

C15H24O — CID 91710638

IUPAC(Z,6R)-2-methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)hept-2-en-1-ol
SMILESCC1=CCC([C@H](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/h5,7,10,14,16H,4,6,8-9,11H2,1-3H3/b13-5-/t14-/m1/s1
InChIKeyZHWZEHFYKZGQFR-MECSIWFOSA-N
MW220.36 g/mol
LogP4.01
Rot. Bonds5

About (Z,6R)-2-methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)hept-2-en-1-ol

(Z,6R)-2-methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)hept-2-en-1-ol (PubChem CID 91710638) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (Z,6R)-2-methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)hept-2-en-1-ol.

Molecular Properties

Compound Name(Z,6R)-2-methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)hept-2-en-1-ol
PubChem CID91710638
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(Z,6R)-2-methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)hept-2-en-1-ol
SMILESCC1=CCC([C@H](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/h5,7,10,14,16H,4,6,8-9,11H2,1-3H3/b13-5-/t14-/m1/s1
InChIKeyZHWZEHFYKZGQFR-MECSIWFOSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z,6R)-2-methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)hept-2-en-1-ol?
The IUPAC name of (Z,6R)-2-methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)hept-2-en-1-ol (CID 91710638) is (Z,6R)-2-methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)hept-2-en-1-ol.
What is the SMILES notation for (Z,6R)-2-methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)hept-2-en-1-ol?
The canonical SMILES for (Z,6R)-2-methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)hept-2-en-1-ol is CC1=CCC([C@H](C)CC/C=C(/C)CO)=CC1.
What is the InChIKey of (Z,6R)-2-methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)hept-2-en-1-ol?
The InChIKey is ZHWZEHFYKZGQFR-MECSIWFOSA-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/h5,7,10,14,16H,4,6,8-9,11H2,1-3H3/b13-5-/t14-/m1/s1.
What are the key properties of (Z,6R)-2-methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)hept-2-en-1-ol?
(Z,6R)-2-methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)hept-2-en-1-ol has a molecular weight of 220.36 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,6R)-2-methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)hept-2-en-1-ol is sourced from PubChem (CID 91710638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).