6-methyl-5-pentyloxan-2-one

C11H20O2 — CID 170782002

IUPAC6-methyl-5-pentyloxan-2-one
SMILESCCCCCC1CCC(=O)OC1C
InChIInChI=1S/C11H20O2/c1-3-4-5-6-10-7-8-11(12)13-9(10)2/h9-10H,3-8H2,1-2H3
InChIKeyIXSRYCXFVDMHKS-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.91
Rot. Bonds4

About 6-methyl-5-pentyloxan-2-one

6-methyl-5-pentyloxan-2-one (PubChem CID 170782002) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 6-methyl-5-pentyloxan-2-one.

Molecular Properties

Compound Name6-methyl-5-pentyloxan-2-one
PubChem CID170782002
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name6-methyl-5-pentyloxan-2-one
SMILESCCCCCC1CCC(=O)OC1C
InChIInChI=1S/C11H20O2/c1-3-4-5-6-10-7-8-11(12)13-9(10)2/h9-10H,3-8H2,1-2H3
InChIKeyIXSRYCXFVDMHKS-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-tridecyloxolan-2-one
CID 11065462
5-octyloxolan-2-one
CID 16821
(5S)-5-pentacosyloxolan-2-one
CID 11102176
6-hexyl-5-methyloxan-2-one
CID 72789677
5-methyl-6-nonyloxan-2-one
CID 177459233
(5R,6S)-5-iodo-6-pentyloxan-2-one
CID 132521395
(5R)-5-butyloxolan-2-one
CID 7057971
6-icosyloxan-2-one
CID 100966702
5-tridecyloxan-2-one
CID 171636062
5-decyloxolan-2-one;4-methyl-5-pentyloxolan-2-one
CID 164873701
(5S)-5-tetradec-5-ynyloxolan-2-one
CID 171341399
trans-(2S,3R)-3-butyl-2-methylcyclopentan-1-one
CID 124509063

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-pentyloxan-2-one?
The IUPAC name of 6-methyl-5-pentyloxan-2-one (CID 170782002) is 6-methyl-5-pentyloxan-2-one.
What is the SMILES notation for 6-methyl-5-pentyloxan-2-one?
The canonical SMILES for 6-methyl-5-pentyloxan-2-one is CCCCCC1CCC(=O)OC1C.
What is the InChIKey of 6-methyl-5-pentyloxan-2-one?
The InChIKey is IXSRYCXFVDMHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-5-6-10-7-8-11(12)13-9(10)2/h9-10H,3-8H2,1-2H3.
What are the key properties of 6-methyl-5-pentyloxan-2-one?
6-methyl-5-pentyloxan-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-pentyloxan-2-one is sourced from PubChem (CID 170782002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).