2-[(Z)-hex-3-enyl]cyclopropane-1-carboxylic acid

C10H16O2 — CID 67318470

IUPAC2-[(Z)-hex-3-enyl]cyclopropane-1-carboxylic acid
SMILESCC/C=C\CCC1CC1C(=O)O
InChIInChI=1S/C10H16O2/c1-2-3-4-5-6-8-7-9(8)10(11)12/h3-4,8-9H,2,5-7H2,1H3,(H,11,12)/b4-3-
InChIKeyLRDSPLOKKVKYAS-ARJAWSKDSA-N
MW168.24 g/mol
LogP2.45
Rot. Bonds5

About 2-[(Z)-hex-3-enyl]cyclopropane-1-carboxylic acid

2-[(Z)-hex-3-enyl]cyclopropane-1-carboxylic acid (PubChem CID 67318470) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[(Z)-hex-3-enyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(Z)-hex-3-enyl]cyclopropane-1-carboxylic acid
PubChem CID67318470
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-[(Z)-hex-3-enyl]cyclopropane-1-carboxylic acid
SMILESCC/C=C\CCC1CC1C(=O)O
InChIInChI=1S/C10H16O2/c1-2-3-4-5-6-8-7-9(8)10(11)12/h3-4,8-9H,2,5-7H2,1H3,(H,11,12)/b4-3-
InChIKeyLRDSPLOKKVKYAS-ARJAWSKDSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.45
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-hex-3-enylcyclopropan-1-ol
CID 123588538
cis-(1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylic acid
CID 146256670
4,5-dipropylcyclohexane-1,2-dicarboxylic acid
CID 58183345
N-[[2-[(Z)-hex-3-enyl]cyclopropyl]methyl]cyclopropanecarboxamide
CID 59793373
trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid
CID 94420067
2-but-3-enyl-4-propylcyclohexane-1-carboxylic acid
CID 81020893
trans-(1S,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid
CID 10654204
N-(cyclopropylmethyl)-N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]cyclopropanecarboxamide
CID 70997462
2-(2-oxoethyl)cyclopropane-1-carboxylic acid
CID 91091325
trans-(1S,2R)-2-(fluoromethyl)cyclopropane-1-carboxylic acid
CID 162341780
2-[(1S)-2-[(E)-hex-3-enyl]-3-oxocyclopentyl]acetic acid
CID 149288803
acetic acid;(Z)-hex-3-ene
CID 87142970

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-hex-3-enyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(Z)-hex-3-enyl]cyclopropane-1-carboxylic acid (CID 67318470) is 2-[(Z)-hex-3-enyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(Z)-hex-3-enyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(Z)-hex-3-enyl]cyclopropane-1-carboxylic acid is CC/C=C\CCC1CC1C(=O)O.
What is the InChIKey of 2-[(Z)-hex-3-enyl]cyclopropane-1-carboxylic acid?
The InChIKey is LRDSPLOKKVKYAS-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-4-5-6-8-7-9(8)10(11)12/h3-4,8-9H,2,5-7H2,1H3,(H,11,12)/b4-3-.
What are the key properties of 2-[(Z)-hex-3-enyl]cyclopropane-1-carboxylic acid?
2-[(Z)-hex-3-enyl]cyclopropane-1-carboxylic acid has a molecular weight of 168.24 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-hex-3-enyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 67318470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).