[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

cis-(1R,2R)-2-(iodomethyl)-1-methyl-1-(4-methylpent-3-enyl)cyclopropane
CID 102318246
(2S)-2-(5-methylhex-4-enyl)oxirane
CID 102089561
trans-(1R,2R)-1-methyl-2-pent-4-enylcyclopropan-1-ol
CID 68751280
acetylene;10,13-dimethyl-17-(5-methylhex-4-enyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane
CID 145429441
[(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 101259052
ethyl N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]carbamate
CID 58895292
(2-bromo-1-methylcyclopropyl)methanol
CID 12502936
5-methylhex-4-ene-1-thiol
CID 123779789
2-[2-[[(1S)-2-butyl-1-methylcyclopropyl]methyl]hydrazinyl]ethanol
CID 130238554
N-tert-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]but-2-enamide
CID 76600034
8-(2,2-dimethylcyclopropyl)octan-1-ol
CID 156501168
[1-methyl-2-[[(1S,3S,5R)-1,2,2,5-tetramethyl-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropyl]methanol
CID 54771444

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).