3-ethyl-2-hydroxytridecan-6-one

C15H30O2 — CID 143381012

IUPAC3-ethyl-2-hydroxytridecan-6-one
SMILESCCCCCCCC(=O)CCC(CC)C(C)O
InChIInChI=1S/C15H30O2/c1-4-6-7-8-9-10-15(17)12-11-14(5-2)13(3)16/h13-14,16H,4-12H2,1-3H3
InChIKeyIETPADPYGZBUIH-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.10
Rot. Bonds11

About 3-ethyl-2-hydroxytridecan-6-one

3-ethyl-2-hydroxytridecan-6-one (PubChem CID 143381012) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 3-ethyl-2-hydroxytridecan-6-one.

Molecular Properties

Compound Name3-ethyl-2-hydroxytridecan-6-one
PubChem CID143381012
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name3-ethyl-2-hydroxytridecan-6-one
SMILESCCCCCCCC(=O)CCC(CC)C(C)O
InChIInChI=1S/C15H30O2/c1-4-6-7-8-9-10-15(17)12-11-14(5-2)13(3)16/h13-14,16H,4-12H2,1-3H3
InChIKeyIETPADPYGZBUIH-UHFFFAOYSA-N
XLogP4.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxyhenicosan-6-one
CID 161363871
2-methyltetradecan-5-one
CID 19931308
9-(1-hydroxyethyl)tetradecan-7-one
CID 123266211
2-chlorohexadecan-5-one
CID 174534085
(3R)-3-hydroxytriacontan-11-one
CID 163074404
2-chlorotetradecan-5-one
CID 174533652
4-hydroxyheptadecan-7-one
CID 10934542
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydroxytridecan-6-one?
The IUPAC name of 3-ethyl-2-hydroxytridecan-6-one (CID 143381012) is 3-ethyl-2-hydroxytridecan-6-one.
What is the SMILES notation for 3-ethyl-2-hydroxytridecan-6-one?
The canonical SMILES for 3-ethyl-2-hydroxytridecan-6-one is CCCCCCCC(=O)CCC(CC)C(C)O.
What is the InChIKey of 3-ethyl-2-hydroxytridecan-6-one?
The InChIKey is IETPADPYGZBUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-4-6-7-8-9-10-15(17)12-11-14(5-2)13(3)16/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 3-ethyl-2-hydroxytridecan-6-one?
3-ethyl-2-hydroxytridecan-6-one has a molecular weight of 242.40 g/mol, XLogP of 4.10, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydroxytridecan-6-one is sourced from PubChem (CID 143381012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).