but-3-enylcyclohexane

C10H18 — CID 523967

IUPACbut-3-enylcyclohexane
SMILESC=CCCC1CCCCC1
InChIInChI=1S/C10H18/c1-2-3-7-10-8-5-4-6-9-10/h2,10H,1,3-9H2
InChIKeyLXAHJTLFCWQKCR-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.53
Rot. Bonds3

About but-3-enylcyclohexane

but-3-enylcyclohexane (PubChem CID 523967) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is but-3-enylcyclohexane.

Molecular Properties

Compound Namebut-3-enylcyclohexane
PubChem CID523967
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Namebut-3-enylcyclohexane
SMILESC=CCCC1CCCCC1
InChIInChI=1S/C10H18/c1-2-3-7-10-8-5-4-6-9-10/h2,10H,1,3-9H2
InChIKeyLXAHJTLFCWQKCR-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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

CID 96529
CID 96529
CID 12757
CID 12757
CID 75027
CID 75027
CID 68140
CID 68140
CID 21873
CID 21873
CID 521957
CID 521957
CID 41077
CID 41077
CID 138092
CID 138092
CID 522552
CID 522552
CID 522554
CID 522554
CID 523966
CID 523966
CID 70491
CID 70491

Frequently Asked Questions

What is the IUPAC name of but-3-enylcyclohexane?
The IUPAC name of but-3-enylcyclohexane (CID 523967) is but-3-enylcyclohexane.
What is the SMILES notation for but-3-enylcyclohexane?
The canonical SMILES for but-3-enylcyclohexane is C=CCCC1CCCCC1.
What is the InChIKey of but-3-enylcyclohexane?
The InChIKey is LXAHJTLFCWQKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-2-3-7-10-8-5-4-6-9-10/h2,10H,1,3-9H2.
What are the key properties of but-3-enylcyclohexane?
but-3-enylcyclohexane has a molecular weight of 138.25 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enylcyclohexane is sourced from PubChem (CID 523967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).