propan-2-ylcyclohexane

C9H18 — CID 12763

IUPACpropan-2-ylcyclohexane
SMILESCC(C)C1CCCCC1
InChIInChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyGWESVXSMPKAFAS-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.22
Rot. Bonds1

About propan-2-ylcyclohexane

propan-2-ylcyclohexane (PubChem CID 12763) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is propan-2-ylcyclohexane.

Molecular Properties

Compound Namepropan-2-ylcyclohexane
PubChem CID12763
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Namepropan-2-ylcyclohexane
SMILESCC(C)C1CCCCC1
InChIInChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyGWESVXSMPKAFAS-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of propan-2-ylcyclohexane?
The IUPAC name of propan-2-ylcyclohexane (CID 12763) is propan-2-ylcyclohexane.
What is the SMILES notation for propan-2-ylcyclohexane?
The canonical SMILES for propan-2-ylcyclohexane is CC(C)C1CCCCC1.
What is the InChIKey of propan-2-ylcyclohexane?
The InChIKey is GWESVXSMPKAFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of propan-2-ylcyclohexane?
propan-2-ylcyclohexane has a molecular weight of 126.24 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 propan-2-ylcyclohexane is sourced from PubChem (CID 12763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).