1-buta-1,2-dienylcyclohexene

C10H14 — CID 10942477

IUPAC1-buta-1,2-dienylcyclohexene
SMILESCC=C=CC1=CCCCC1
InChIInChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h2,7-8H,4-6,9H2,1H3
InChIKeyNATUXDNNWPAXDU-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.22
Rot. Bonds1

About 1-buta-1,2-dienylcyclohexene

1-buta-1,2-dienylcyclohexene (PubChem CID 10942477) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-buta-1,2-dienylcyclohexene.

Molecular Properties

Compound Name1-buta-1,2-dienylcyclohexene
PubChem CID10942477
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1-buta-1,2-dienylcyclohexene
SMILESCC=C=CC1=CCCCC1
InChIInChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h2,7-8H,4-6,9H2,1H3
InChIKeyNATUXDNNWPAXDU-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-buta-1,2-dienylcyclohexene?
The IUPAC name of 1-buta-1,2-dienylcyclohexene (CID 10942477) is 1-buta-1,2-dienylcyclohexene.
What is the SMILES notation for 1-buta-1,2-dienylcyclohexene?
The canonical SMILES for 1-buta-1,2-dienylcyclohexene is CC=C=CC1=CCCCC1.
What is the InChIKey of 1-buta-1,2-dienylcyclohexene?
The InChIKey is NATUXDNNWPAXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h2,7-8H,4-6,9H2,1H3.
What are the key properties of 1-buta-1,2-dienylcyclohexene?
1-buta-1,2-dienylcyclohexene has a molecular weight of 134.22 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,2-dienylcyclohexene is sourced from PubChem (CID 10942477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).