propan-2-ylcyclohexane

C9H17- — CID 140720710

IUPACpropan-2-ylcyclohexane
SMILESCC(C)C1CC[CH-]CC1
InChIInChI=1S/C9H17/c1-8(2)9-6-4-3-5-7-9/h3,8-9H,4-7H2,1-2H3/q-1
InChIKeyWWDPHDMUMOBWKT-UHFFFAOYSA-N
MW125.23 g/mol
LogP3.04
Rot. Bonds1

About propan-2-ylcyclohexane

propan-2-ylcyclohexane (PubChem CID 140720710) has the molecular formula C9H17- and a molecular weight of 125.23 g/mol. Its IUPAC name is propan-2-ylcyclohexane.

Molecular Properties

Compound Namepropan-2-ylcyclohexane
PubChem CID140720710
Molecular FormulaC9H17-
Molecular Weight125.23 g/mol
Exact Mass125.13
IUPAC Namepropan-2-ylcyclohexane
SMILESCC(C)C1CC[CH-]CC1
InChIInChI=1S/C9H17/c1-8(2)9-6-4-3-5-7-9/h3,8-9H,4-7H2,1-2H3/q-1
InChIKeyWWDPHDMUMOBWKT-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.23
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-ylcyclohexane?
The IUPAC name of propan-2-ylcyclohexane (CID 140720710) is propan-2-ylcyclohexane.
What is the SMILES notation for propan-2-ylcyclohexane?
The canonical SMILES for propan-2-ylcyclohexane is CC(C)C1CC[CH-]CC1.
What is the InChIKey of propan-2-ylcyclohexane?
The InChIKey is WWDPHDMUMOBWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17/c1-8(2)9-6-4-3-5-7-9/h3,8-9H,4-7H2,1-2H3/q-1.
What are the key properties of propan-2-ylcyclohexane?
propan-2-ylcyclohexane has a molecular weight of 125.23 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylcyclohexane is sourced from PubChem (CID 140720710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).