but-2-en-2-ylcyclohexane

C10H18 — CID 54316326

IUPACbut-2-en-2-ylcyclohexane
SMILESCC=C(C)C1CCCCC1
InChIInChI=1S/C10H18/c1-3-9(2)10-7-5-4-6-8-10/h3,10H,4-8H2,1-2H3
InChIKeySOKZJAMQPSJUPA-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.53
Rot. Bonds1

About but-2-en-2-ylcyclohexane

but-2-en-2-ylcyclohexane (PubChem CID 54316326) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is but-2-en-2-ylcyclohexane.

Molecular Properties

Compound Namebut-2-en-2-ylcyclohexane
PubChem CID54316326
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Namebut-2-en-2-ylcyclohexane
SMILESCC=C(C)C1CCCCC1
InChIInChI=1S/C10H18/c1-3-9(2)10-7-5-4-6-8-10/h3,10H,4-8H2,1-2H3
InChIKeySOKZJAMQPSJUPA-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.53
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

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
Gamma-Terpinene
CID 7461
delta-Cadinene
CID 441005
Beta-Bisabolene
CID 10104370
Alpha-muurolene, (-)-
CID 12306047
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
alpha-Bisabolene
CID 86597
p-Menth-1-ene
CID 21671
alpha-Camphorene
CID 101750
(+)-germacrene A
CID 9548705

Frequently Asked Questions

What is the IUPAC name of but-2-en-2-ylcyclohexane?
The IUPAC name of but-2-en-2-ylcyclohexane (CID 54316326) is but-2-en-2-ylcyclohexane.
What is the SMILES notation for but-2-en-2-ylcyclohexane?
The canonical SMILES for but-2-en-2-ylcyclohexane is CC=C(C)C1CCCCC1.
What is the InChIKey of but-2-en-2-ylcyclohexane?
The InChIKey is SOKZJAMQPSJUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-3-9(2)10-7-5-4-6-8-10/h3,10H,4-8H2,1-2H3.
What are the key properties of but-2-en-2-ylcyclohexane?
but-2-en-2-ylcyclohexane has a molecular weight of 138.25 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-en-2-ylcyclohexane is sourced from PubChem (CID 54316326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).