13-methyl-oxacyclotetradecan-2-one

C14H26O2 — CID 534607

IUPAC13-methyl-oxacyclotetradecan-2-one
SMILESCC1CCCCCCCCCCC(=O)OC1
InChIInChI=1S/C14H26O2/c1-13-10-8-6-4-2-3-5-7-9-11-14(15)16-12-13/h13H,2-12H2,1H3
InChIKeyNFNWPPOMMYDNFQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.08
Rot. Bonds

About 13-methyl-oxacyclotetradecan-2-one

13-methyl-oxacyclotetradecan-2-one (PubChem CID 534607) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 13-methyl-oxacyclotetradecan-2-one.

Molecular Properties

Compound Name13-methyl-oxacyclotetradecan-2-one
PubChem CID534607
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name13-methyl-oxacyclotetradecan-2-one
SMILESCC1CCCCCCCCCCC(=O)OC1
InChIInChI=1S/C14H26O2/c1-13-10-8-6-4-2-3-5-7-9-11-14(15)16-12-13/h13H,2-12H2,1H3
InChIKeyNFNWPPOMMYDNFQ-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-oxacyclotetradecan-2-one?
The IUPAC name of 13-methyl-oxacyclotetradecan-2-one (CID 534607) is 13-methyl-oxacyclotetradecan-2-one.
What is the SMILES notation for 13-methyl-oxacyclotetradecan-2-one?
The canonical SMILES for 13-methyl-oxacyclotetradecan-2-one is CC1CCCCCCCCCCC(=O)OC1.
What is the InChIKey of 13-methyl-oxacyclotetradecan-2-one?
The InChIKey is NFNWPPOMMYDNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-13-10-8-6-4-2-3-5-7-9-11-14(15)16-12-13/h13H,2-12H2,1H3.
What are the key properties of 13-methyl-oxacyclotetradecan-2-one?
13-methyl-oxacyclotetradecan-2-one has a molecular weight of 226.36 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-oxacyclotetradecan-2-one is sourced from PubChem (CID 534607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).