10-(7-hydroxyheptyl)oxecan-2-one

C16H30O3 — CID 141387708

IUPAC10-(7-hydroxyheptyl)oxecan-2-one
SMILESO=C1CCCCCCCC(CCCCCCCO)O1
InChIInChI=1S/C16H30O3/c17-14-10-6-2-4-8-12-15-11-7-3-1-5-9-13-16(18)19-15/h15,17H,1-14H2
InChIKeySQSRXFZBMDTPBV-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.98
Rot. Bonds7

About 10-(7-hydroxyheptyl)oxecan-2-one

10-(7-hydroxyheptyl)oxecan-2-one (PubChem CID 141387708) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 10-(7-hydroxyheptyl)oxecan-2-one.

Molecular Properties

Compound Name10-(7-hydroxyheptyl)oxecan-2-one
PubChem CID141387708
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name10-(7-hydroxyheptyl)oxecan-2-one
SMILESO=C1CCCCCCCC(CCCCCCCO)O1
InChIInChI=1S/C16H30O3/c17-14-10-6-2-4-8-12-15-11-7-3-1-5-9-13-16(18)19-15/h15,17H,1-14H2
InChIKeySQSRXFZBMDTPBV-UHFFFAOYSA-N
XLogP3.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(7-hydroxyheptyl)oxecan-2-one?
The IUPAC name of 10-(7-hydroxyheptyl)oxecan-2-one (CID 141387708) is 10-(7-hydroxyheptyl)oxecan-2-one.
What is the SMILES notation for 10-(7-hydroxyheptyl)oxecan-2-one?
The canonical SMILES for 10-(7-hydroxyheptyl)oxecan-2-one is O=C1CCCCCCCC(CCCCCCCO)O1.
What is the InChIKey of 10-(7-hydroxyheptyl)oxecan-2-one?
The InChIKey is SQSRXFZBMDTPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c17-14-10-6-2-4-8-12-15-11-7-3-1-5-9-13-16(18)19-15/h15,17H,1-14H2.
What are the key properties of 10-(7-hydroxyheptyl)oxecan-2-one?
10-(7-hydroxyheptyl)oxecan-2-one has a molecular weight of 270.41 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(7-hydroxyheptyl)oxecan-2-one is sourced from PubChem (CID 141387708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).