2-(4-hydroxy-4-methylpentyl)cyclopropane-1-carbaldehyde

C10H18O2 — CID 143647530

IUPAC2-(4-hydroxy-4-methylpentyl)cyclopropane-1-carbaldehyde
SMILESCC(C)(O)CCCC1CC1C=O
InChIInChI=1S/C10H18O2/c1-10(2,12)5-3-4-8-6-9(8)7-11/h7-9,12H,3-6H2,1-2H3
InChIKeyIZAWCEUZFMBSSZ-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.76
Rot. Bonds5

About 2-(4-hydroxy-4-methylpentyl)cyclopropane-1-carbaldehyde

2-(4-hydroxy-4-methylpentyl)cyclopropane-1-carbaldehyde (PubChem CID 143647530) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(4-hydroxy-4-methylpentyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name2-(4-hydroxy-4-methylpentyl)cyclopropane-1-carbaldehyde
PubChem CID143647530
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(4-hydroxy-4-methylpentyl)cyclopropane-1-carbaldehyde
SMILESCC(C)(O)CCCC1CC1C=O
InChIInChI=1S/C10H18O2/c1-10(2,12)5-3-4-8-6-9(8)7-11/h7-9,12H,3-6H2,1-2H3
InChIKeyIZAWCEUZFMBSSZ-UHFFFAOYSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R,2R)-2-(4-hydroxy-4-methylpentyl)cyclopropyl]acetic acid
CID 156581427
cis-(1S,2R)-2-icosylcyclopropane-1-carbaldehyde
CID 101227517
cis-(1S,2S)-2-(2-bromoethyl)cyclopropane-1-carbaldehyde
CID 15528365
2-[3-(4-hydroxy-4-methylpentyl)-2,2-dimethylcyclohexyl]acetaldehyde
CID 20577982
2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde
CID 24878069
cis-(1R,2R)-2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde
CID 59005351
(E)-7-hydroxy-3,7-dimethyloct-2-enal
CID 13023839
1-butyl-2-[(E)-5,5-dimethylhex-1-enyl]cyclopropane
CID 140604748
trans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde
CID 135039485
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
(E)-2,11-dimethyldodec-6-ene-2,11-diol
CID 87994195
(E)-7-hydroxy-3,7-dimethyloct-2-enoic acid
CID 15726749

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-methylpentyl)cyclopropane-1-carbaldehyde?
The IUPAC name of 2-(4-hydroxy-4-methylpentyl)cyclopropane-1-carbaldehyde (CID 143647530) is 2-(4-hydroxy-4-methylpentyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 2-(4-hydroxy-4-methylpentyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 2-(4-hydroxy-4-methylpentyl)cyclopropane-1-carbaldehyde is CC(C)(O)CCCC1CC1C=O.
What is the InChIKey of 2-(4-hydroxy-4-methylpentyl)cyclopropane-1-carbaldehyde?
The InChIKey is IZAWCEUZFMBSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-10(2,12)5-3-4-8-6-9(8)7-11/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 2-(4-hydroxy-4-methylpentyl)cyclopropane-1-carbaldehyde?
2-(4-hydroxy-4-methylpentyl)cyclopropane-1-carbaldehyde has a molecular weight of 170.25 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-methylpentyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 143647530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).