4-(cyclopropylmethoxy)pentan-2-one

C9H16O2 — CID 64697956

IUPAC4-(cyclopropylmethoxy)pentan-2-one
SMILESCC(=O)CC(C)OCC1CC1
InChIInChI=1S/C9H16O2/c1-7(10)5-8(2)11-6-9-3-4-9/h8-9H,3-6H2,1-2H3
InChIKeyKVVQDYXCPQOLEB-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.78
Rot. Bonds5

About 4-(cyclopropylmethoxy)pentan-2-one

4-(cyclopropylmethoxy)pentan-2-one (PubChem CID 64697956) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)pentan-2-one.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)pentan-2-one
PubChem CID64697956
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name4-(cyclopropylmethoxy)pentan-2-one
SMILESCC(=O)CC(C)OCC1CC1
InChIInChI=1S/C9H16O2/c1-7(10)5-8(2)11-6-9-3-4-9/h8-9H,3-6H2,1-2H3
InChIKeyKVVQDYXCPQOLEB-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(cyclopropylmethoxy)pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Isobutoxy-2-butanone
CID 537792
3-(1-Ethoxyethyl)-2,4-pentanedione
CID 129806156
4-(2-Methylpropoxy)pentan-2-one
CID 64698136
4-Propoxypentan-2-one
CID 64698354
4-Butoxypentan-2-one
CID 64698355
4-Ethoxy-3-methylpentan-2-one
CID 86089961
4-(4-Oxopentan-2-yloxy)pentan-2-one
CID 87311586
4-Methoxypentan-2-one;4-methylpentan-2-one
CID 88598994
(4S)-4-butoxypentan-2-one
CID 88897583
4-Oxopentan-2-yl 2-methylpropanoate
CID 89014078
4-Pentan-2-yloxybutan-2-one
CID 102982871
1-(2-Ethoxycyclopropyl)ethanone
CID 105427366

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)pentan-2-one?
The IUPAC name of 4-(cyclopropylmethoxy)pentan-2-one (CID 64697956) is 4-(cyclopropylmethoxy)pentan-2-one.
What is the SMILES notation for 4-(cyclopropylmethoxy)pentan-2-one?
The canonical SMILES for 4-(cyclopropylmethoxy)pentan-2-one is CC(=O)CC(C)OCC1CC1.
What is the InChIKey of 4-(cyclopropylmethoxy)pentan-2-one?
The InChIKey is KVVQDYXCPQOLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(10)5-8(2)11-6-9-3-4-9/h8-9H,3-6H2,1-2H3.
What are the key properties of 4-(cyclopropylmethoxy)pentan-2-one?
4-(cyclopropylmethoxy)pentan-2-one has a molecular weight of 156.22 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)pentan-2-one is sourced from PubChem (CID 64697956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).