2-cyclopropyl-6-methylheptan-3-one

C11H20O — CID 114966781

IUPAC2-cyclopropyl-6-methylheptan-3-one
SMILESCC(C)CCC(=O)C(C)C1CC1
InChIInChI=1S/C11H20O/c1-8(2)4-7-11(12)9(3)10-5-6-10/h8-10H,4-7H2,1-3H3
InChIKeyGTEMNOQLNUERAU-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.04
Rot. Bonds5

About 2-cyclopropyl-6-methylheptan-3-one

2-cyclopropyl-6-methylheptan-3-one (PubChem CID 114966781) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-cyclopropyl-6-methylheptan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-6-methylheptan-3-one
PubChem CID114966781
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-cyclopropyl-6-methylheptan-3-one
SMILESCC(C)CCC(=O)C(C)C1CC1
InChIInChI=1S/C11H20O/c1-8(2)4-7-11(12)9(3)10-5-6-10/h8-10H,4-7H2,1-3H3
InChIKeyGTEMNOQLNUERAU-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methylheptan-3-one?
The IUPAC name of 2-cyclopropyl-6-methylheptan-3-one (CID 114966781) is 2-cyclopropyl-6-methylheptan-3-one.
What is the SMILES notation for 2-cyclopropyl-6-methylheptan-3-one?
The canonical SMILES for 2-cyclopropyl-6-methylheptan-3-one is CC(C)CCC(=O)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-6-methylheptan-3-one?
The InChIKey is GTEMNOQLNUERAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-8(2)4-7-11(12)9(3)10-5-6-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-cyclopropyl-6-methylheptan-3-one?
2-cyclopropyl-6-methylheptan-3-one has a molecular weight of 168.28 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methylheptan-3-one is sourced from PubChem (CID 114966781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).