9-(1-hydroxyethyl)tetradecan-7-one

C16H32O2 — CID 123266211

IUPAC9-(1-hydroxyethyl)tetradecan-7-one
SMILESCCCCCCC(=O)CC(CCCCC)C(C)O
InChIInChI=1S/C16H32O2/c1-4-6-8-10-12-16(18)13-15(14(3)17)11-9-7-5-2/h14-15,17H,4-13H2,1-3H3
InChIKeyXLQPQBZWFVKHDR-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.49
Rot. Bonds12

About 9-(1-hydroxyethyl)tetradecan-7-one

9-(1-hydroxyethyl)tetradecan-7-one (PubChem CID 123266211) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 9-(1-hydroxyethyl)tetradecan-7-one.

Molecular Properties

Compound Name9-(1-hydroxyethyl)tetradecan-7-one
PubChem CID123266211
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name9-(1-hydroxyethyl)tetradecan-7-one
SMILESCCCCCCC(=O)CC(CCCCC)C(C)O
InChIInChI=1S/C16H32O2/c1-4-6-8-10-12-16(18)13-15(14(3)17)11-9-7-5-2/h14-15,17H,4-13H2,1-3H3
InChIKeyXLQPQBZWFVKHDR-UHFFFAOYSA-N
XLogP4.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.49
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

8-propan-2-yldocosan-10-one
CID 172567121
6,13,24,31-tetrahydroxyhexatriacontane-8,15,22,29-tetrone
CID 163056640
11-hydroxynonadecan-9-one
CID 100944351
12-methylhenicosan-10-one
CID 71761778
6-hydroxypentacosan-8-one
CID 131751819
2-hydroxyundecan-4-one
CID 57218315
3-ethyl-2-hydroxytridecan-6-one
CID 143381012
2-methylhexadecan-4-one
CID 63411798
ethane;3-heptylundecan-2-ol
CID 165399351
4-methyltetradecan-6-one
CID 12635285
5-methyltridecan-7-one
CID 71413449
4-hydroxytricosan-6-one
CID 131751829

Frequently Asked Questions

What is the IUPAC name of 9-(1-hydroxyethyl)tetradecan-7-one?
The IUPAC name of 9-(1-hydroxyethyl)tetradecan-7-one (CID 123266211) is 9-(1-hydroxyethyl)tetradecan-7-one.
What is the SMILES notation for 9-(1-hydroxyethyl)tetradecan-7-one?
The canonical SMILES for 9-(1-hydroxyethyl)tetradecan-7-one is CCCCCCC(=O)CC(CCCCC)C(C)O.
What is the InChIKey of 9-(1-hydroxyethyl)tetradecan-7-one?
The InChIKey is XLQPQBZWFVKHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-4-6-8-10-12-16(18)13-15(14(3)17)11-9-7-5-2/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 9-(1-hydroxyethyl)tetradecan-7-one?
9-(1-hydroxyethyl)tetradecan-7-one has a molecular weight of 256.43 g/mol, XLogP of 4.49, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-hydroxyethyl)tetradecan-7-one is sourced from PubChem (CID 123266211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).