[1-methyl-2-(5-methylhex-4-enyl)cyclopropyl]methanol

C12H22O — CID 123931869

IUPAC[1-methyl-2-(5-methylhex-4-enyl)cyclopropyl]methanol
SMILESCC(C)=CCCCC1CC1(C)CO
InChIInChI=1S/C12H22O/c1-10(2)6-4-5-7-11-8-12(11,3)9-13/h6,11,13H,4-5,7-9H2,1-3H3
InChIKeyDLWHYDOZDWNQQK-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.14
Rot. Bonds5

About [1-methyl-2-(5-methylhex-4-enyl)cyclopropyl]methanol

[1-methyl-2-(5-methylhex-4-enyl)cyclopropyl]methanol (PubChem CID 123931869) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is [1-methyl-2-(5-methylhex-4-enyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-methyl-2-(5-methylhex-4-enyl)cyclopropyl]methanol
PubChem CID123931869
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name[1-methyl-2-(5-methylhex-4-enyl)cyclopropyl]methanol
SMILESCC(C)=CCCCC1CC1(C)CO
InChIInChI=1S/C12H22O/c1-10(2)6-4-5-7-11-8-12(11,3)9-13/h6,11,13H,4-5,7-9H2,1-3H3
InChIKeyDLWHYDOZDWNQQK-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Nopol
CID 31408
alpha-CAMPHOLENOL
CID 61284
p-MENTH-1-EN-9-OL
CID 86753
Camelliol C
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Sandalore
CID 103212
Isocyclogeraniol
CID 109458
Nopol, (+-)-
CID 1272250
Chrysanthemol
CID 110685
Methylcyclohexenyl butanol
CID 85903
3-Cyclohexene-1-methanol, 2,4-dimethyl-
CID 106743
3-Cyclopentene-1-butanol, beta,2,2,3-tetramethyl-
CID 166220
2,6,6-Trimethylcyclohex-2-ene-1-methanol
CID 97932

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(5-methylhex-4-enyl)cyclopropyl]methanol?
The IUPAC name of [1-methyl-2-(5-methylhex-4-enyl)cyclopropyl]methanol (CID 123931869) is [1-methyl-2-(5-methylhex-4-enyl)cyclopropyl]methanol.
What is the SMILES notation for [1-methyl-2-(5-methylhex-4-enyl)cyclopropyl]methanol?
The canonical SMILES for [1-methyl-2-(5-methylhex-4-enyl)cyclopropyl]methanol is CC(C)=CCCCC1CC1(C)CO.
What is the InChIKey of [1-methyl-2-(5-methylhex-4-enyl)cyclopropyl]methanol?
The InChIKey is DLWHYDOZDWNQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-10(2)6-4-5-7-11-8-12(11,3)9-13/h6,11,13H,4-5,7-9H2,1-3H3.
What are the key properties of [1-methyl-2-(5-methylhex-4-enyl)cyclopropyl]methanol?
[1-methyl-2-(5-methylhex-4-enyl)cyclopropyl]methanol has a molecular weight of 182.31 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-(5-methylhex-4-enyl)cyclopropyl]methanol is sourced from PubChem (CID 123931869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).