3-butylidenecyclohexene

C10H16 — CID 54334793

IUPAC3-butylidenecyclohexene
SMILESCCCC=C1C=CCCC1
InChIInChI=1S/C10H16/c1-2-3-7-10-8-5-4-6-9-10/h5,7-8H,2-4,6,9H2,1H3
InChIKeyMJKSRBBRRFIRIS-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.45
Rot. Bonds2

About 3-butylidenecyclohexene

3-butylidenecyclohexene (PubChem CID 54334793) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 3-butylidenecyclohexene.

Molecular Properties

Compound Name3-butylidenecyclohexene
PubChem CID54334793
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name3-butylidenecyclohexene
SMILESCCCC=C1C=CCCC1
InChIInChI=1S/C10H16/c1-2-3-7-10-8-5-4-6-9-10/h5,7-8H,2-4,6,9H2,1H3
InChIKeyMJKSRBBRRFIRIS-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-butylidenecyclohexene?
The IUPAC name of 3-butylidenecyclohexene (CID 54334793) is 3-butylidenecyclohexene.
What is the SMILES notation for 3-butylidenecyclohexene?
The canonical SMILES for 3-butylidenecyclohexene is CCCC=C1C=CCCC1.
What is the InChIKey of 3-butylidenecyclohexene?
The InChIKey is MJKSRBBRRFIRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-2-3-7-10-8-5-4-6-9-10/h5,7-8H,2-4,6,9H2,1H3.
What are the key properties of 3-butylidenecyclohexene?
3-butylidenecyclohexene has a molecular weight of 136.24 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylidenecyclohexene is sourced from PubChem (CID 54334793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).