6-[(2-methylcyclopropyl)methyl]oxan-2-one

C10H16O2 — CID 101144566

IUPAC6-[(2-methylcyclopropyl)methyl]oxan-2-one
SMILESCC1CC1CC1CCCC(=O)O1
InChIInChI=1S/C10H16O2/c1-7-5-8(7)6-9-3-2-4-10(11)12-9/h7-9H,2-6H2,1H3
InChIKeyKKLXDPIAUWDLMU-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.13
Rot. Bonds2

About 6-[(2-methylcyclopropyl)methyl]oxan-2-one

6-[(2-methylcyclopropyl)methyl]oxan-2-one (PubChem CID 101144566) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 6-[(2-methylcyclopropyl)methyl]oxan-2-one.

Molecular Properties

Compound Name6-[(2-methylcyclopropyl)methyl]oxan-2-one
PubChem CID101144566
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name6-[(2-methylcyclopropyl)methyl]oxan-2-one
SMILESCC1CC1CC1CCCC(=O)O1
InChIInChI=1S/C10H16O2/c1-7-5-8(7)6-9-3-2-4-10(11)12-9/h7-9H,2-6H2,1H3
InChIKeyKKLXDPIAUWDLMU-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylcyclopropyl)methyl]oxan-2-one?
The IUPAC name of 6-[(2-methylcyclopropyl)methyl]oxan-2-one (CID 101144566) is 6-[(2-methylcyclopropyl)methyl]oxan-2-one.
What is the SMILES notation for 6-[(2-methylcyclopropyl)methyl]oxan-2-one?
The canonical SMILES for 6-[(2-methylcyclopropyl)methyl]oxan-2-one is CC1CC1CC1CCCC(=O)O1.
What is the InChIKey of 6-[(2-methylcyclopropyl)methyl]oxan-2-one?
The InChIKey is KKLXDPIAUWDLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-5-8(7)6-9-3-2-4-10(11)12-9/h7-9H,2-6H2,1H3.
What are the key properties of 6-[(2-methylcyclopropyl)methyl]oxan-2-one?
6-[(2-methylcyclopropyl)methyl]oxan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylcyclopropyl)methyl]oxan-2-one is sourced from PubChem (CID 101144566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).