2-(Cyclohex-1-en-1-yl)ethyl

C8H13 — CID 57423167

IUPAC—
SMILES[CH2]CC1=CCCCC1
InChIInChI=1S/C8H13/c1-2-8-6-4-3-5-7-8/h6H,1-5,7H2
InChIKeyMEEODXYHMDQUGA-UHFFFAOYSA-N
MW109.19 g/mol
LogP2.71
Rot. Bonds1

About 2-(Cyclohex-1-en-1-yl)ethyl

2-(Cyclohex-1-en-1-yl)ethyl (PubChem CID 57423167) has the molecular formula C8H13 and a molecular weight of 109.19 g/mol.

Molecular Properties

Compound Name2-(Cyclohex-1-en-1-yl)ethyl
PubChem CID57423167
Molecular FormulaC8H13
Molecular Weight109.19 g/mol
Exact Mass109.10
IUPAC Name—
SMILES[CH2]CC1=CCCCC1
InChIInChI=1S/C8H13/c1-2-8-6-4-3-5-7-8/h6H,1-5,7H2
InChIKeyMEEODXYHMDQUGA-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.19
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1-hex-5-enylcyclohexene
CID 123683483
2-(cyclohepten-1-yl)ethanamine;hydrochloride
CID 75421023
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CID 87205341
1-(methoxymethyl)cycloheptene
CID 66889077
1-(2-methylbuta-2,3-dienyl)cyclohexene
CID 142934932
1-(cycloocten-1-yl)-3-methylbutan-2-one
CID 147027331
dichloro-[2-(cyclohexen-1-yl)ethyl]silane
CID 154202254
2-(cyclohexen-1-yl)ethanethioamide
CID 82668044
1-butylcyclononene
CID 56981158

Frequently Asked Questions

What is the IUPAC name of 2-(Cyclohex-1-en-1-yl)ethyl?
The IUPAC name of 2-(Cyclohex-1-en-1-yl)ethyl (CID 57423167) is not available.
What is the SMILES notation for 2-(Cyclohex-1-en-1-yl)ethyl?
The canonical SMILES for 2-(Cyclohex-1-en-1-yl)ethyl is [CH2]CC1=CCCCC1.
What is the InChIKey of 2-(Cyclohex-1-en-1-yl)ethyl?
The InChIKey is MEEODXYHMDQUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13/c1-2-8-6-4-3-5-7-8/h6H,1-5,7H2.
What are the key properties of 2-(Cyclohex-1-en-1-yl)ethyl?
2-(Cyclohex-1-en-1-yl)ethyl has a molecular weight of 109.19 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(Cyclohex-1-en-1-yl)ethyl is sourced from PubChem (CID 57423167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).