propa-1,2-dienylcyclohexane

C9H14 — CID 21873

IUPACpropa-1,2-dienylcyclohexane
SMILESC=C=CC1CCCCC1
InChIInChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h6,9H,1,3-5,7-8H2
InChIKeyCQHBBSICMXUMIB-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.91
Rot. Bonds1

About propa-1,2-dienylcyclohexane

propa-1,2-dienylcyclohexane (PubChem CID 21873) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is propa-1,2-dienylcyclohexane.

Molecular Properties

Compound Namepropa-1,2-dienylcyclohexane
PubChem CID21873
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Namepropa-1,2-dienylcyclohexane
SMILESC=C=CC1CCCCC1
InChIInChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h6,9H,1,3-5,7-8H2
InChIKeyCQHBBSICMXUMIB-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of propa-1,2-dienylcyclohexane?
The IUPAC name of propa-1,2-dienylcyclohexane (CID 21873) is propa-1,2-dienylcyclohexane.
What is the SMILES notation for propa-1,2-dienylcyclohexane?
The canonical SMILES for propa-1,2-dienylcyclohexane is C=C=CC1CCCCC1.
What is the InChIKey of propa-1,2-dienylcyclohexane?
The InChIKey is CQHBBSICMXUMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h6,9H,1,3-5,7-8H2.
What are the key properties of propa-1,2-dienylcyclohexane?
propa-1,2-dienylcyclohexane has a molecular weight of 122.21 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propa-1,2-dienylcyclohexane is sourced from PubChem (CID 21873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).