prop-1-en-2-ylcyclohexane

C9H16 — CID 523966

IUPACprop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CCCCC1
InChIInChI=1S/C9H16/c1-8(2)9-6-4-3-5-7-9/h9H,1,3-7H2,2H3
InChIKeySWLGTNLRTUGMHV-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds1

About prop-1-en-2-ylcyclohexane

prop-1-en-2-ylcyclohexane (PubChem CID 523966) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Nameprop-1-en-2-ylcyclohexane
PubChem CID523966
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Nameprop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CCCCC1
InChIInChI=1S/C9H16/c1-8(2)9-6-4-3-5-7-9/h9H,1,3-7H2,2H3
InChIKeySWLGTNLRTUGMHV-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-ylcyclohexane?
The IUPAC name of prop-1-en-2-ylcyclohexane (CID 523966) is prop-1-en-2-ylcyclohexane.
What is the SMILES notation for prop-1-en-2-ylcyclohexane?
The canonical SMILES for prop-1-en-2-ylcyclohexane is C=C(C)C1CCCCC1.
What is the InChIKey of prop-1-en-2-ylcyclohexane?
The InChIKey is SWLGTNLRTUGMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-8(2)9-6-4-3-5-7-9/h9H,1,3-7H2,2H3.
What are the key properties of prop-1-en-2-ylcyclohexane?
prop-1-en-2-ylcyclohexane has a molecular weight of 124.23 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 523966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).