2-methylprop-1-enylcyclohexane

C10H18 — CID 549098

IUPAC2-methylprop-1-enylcyclohexane
SMILESCC(C)=CC1CCCCC1
InChIInChI=1S/C10H18/c1-9(2)8-10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3
InChIKeyLGBPUUFNFSHDSG-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.53
Rot. Bonds1

About 2-methylprop-1-enylcyclohexane

2-methylprop-1-enylcyclohexane (PubChem CID 549098) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 2-methylprop-1-enylcyclohexane.

Molecular Properties

Compound Name2-methylprop-1-enylcyclohexane
PubChem CID549098
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name2-methylprop-1-enylcyclohexane
SMILESCC(C)=CC1CCCCC1
InChIInChI=1S/C10H18/c1-9(2)8-10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3
InChIKeyLGBPUUFNFSHDSG-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-enylcyclohexane?
The IUPAC name of 2-methylprop-1-enylcyclohexane (CID 549098) is 2-methylprop-1-enylcyclohexane.
What is the SMILES notation for 2-methylprop-1-enylcyclohexane?
The canonical SMILES for 2-methylprop-1-enylcyclohexane is CC(C)=CC1CCCCC1.
What is the InChIKey of 2-methylprop-1-enylcyclohexane?
The InChIKey is LGBPUUFNFSHDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-9(2)8-10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3.
What are the key properties of 2-methylprop-1-enylcyclohexane?
2-methylprop-1-enylcyclohexane has a molecular weight of 138.25 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-enylcyclohexane is sourced from PubChem (CID 549098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).