2-hex-3-enylcyclopropan-1-ol

C9H16O — CID 123588538

IUPAC2-hex-3-enylcyclopropan-1-ol
SMILESCCC=CCCC1CC1O
InChIInChI=1S/C9H16O/c1-2-3-4-5-6-8-7-9(8)10/h3-4,8-10H,2,5-7H2,1H3
InChIKeyYEWMKOGSIXFSRD-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.11
Rot. Bonds4

About 2-hex-3-enylcyclopropan-1-ol

2-hex-3-enylcyclopropan-1-ol (PubChem CID 123588538) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-hex-3-enylcyclopropan-1-ol.

Molecular Properties

Compound Name2-hex-3-enylcyclopropan-1-ol
PubChem CID123588538
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-hex-3-enylcyclopropan-1-ol
SMILESCCC=CCCC1CC1O
InChIInChI=1S/C9H16O/c1-2-3-4-5-6-8-7-9(8)10/h3-4,8-10H,2,5-7H2,1H3
InChIKeyYEWMKOGSIXFSRD-UHFFFAOYSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-hex-3-enyl]cyclopropane-1-carboxylic acid
CID 67318470
(2R)-2-ethylcyclopropan-1-ol
CID 173498082
N-[[2-[(Z)-hex-3-enyl]cyclopropyl]methyl]cyclopropanecarboxamide
CID 59793373
(2S,3S,5R)-2-butyl-5-hex-3-enyloxolan-3-ol
CID 123456053
cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
cis-(1S,2S)-2-butylcyclopropan-1-ol
CID 14453674
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
N-(cyclopropylmethyl)-N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]cyclopropanecarboxamide
CID 70997462
2-[(1R,2S)-2-[(Z)-oct-3-enyl]cyclopropyl]ethanol
CID 59055603
2-(5-bromopent-4-enyl)cyclopropan-1-ol
CID 123911328
(2S,3S,5R)-2-[(Z)-hex-3-enyl]-3,5-dimethyloxolane
CID 90362246

Frequently Asked Questions

What is the IUPAC name of 2-hex-3-enylcyclopropan-1-ol?
The IUPAC name of 2-hex-3-enylcyclopropan-1-ol (CID 123588538) is 2-hex-3-enylcyclopropan-1-ol.
What is the SMILES notation for 2-hex-3-enylcyclopropan-1-ol?
The canonical SMILES for 2-hex-3-enylcyclopropan-1-ol is CCC=CCCC1CC1O.
What is the InChIKey of 2-hex-3-enylcyclopropan-1-ol?
The InChIKey is YEWMKOGSIXFSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-2-3-4-5-6-8-7-9(8)10/h3-4,8-10H,2,5-7H2,1H3.
What are the key properties of 2-hex-3-enylcyclopropan-1-ol?
2-hex-3-enylcyclopropan-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-3-enylcyclopropan-1-ol is sourced from PubChem (CID 123588538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).