1-hydroxytridecan-7-one

C13H26O2 — CID 87401341

IUPAC1-hydroxytridecan-7-one
SMILESCCCCCCC(=O)CCCCCCO
InChIInChI=1S/C13H26O2/c1-2-3-4-7-10-13(15)11-8-5-6-9-12-14/h14H,2-12H2,1H3
InChIKeyMKRFPVHGJVNTQH-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.47
Rot. Bonds11

About 1-hydroxytridecan-7-one

1-hydroxytridecan-7-one (PubChem CID 87401341) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-hydroxytridecan-7-one.

Molecular Properties

Compound Name1-hydroxytridecan-7-one
PubChem CID87401341
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1-hydroxytridecan-7-one
SMILESCCCCCCC(=O)CCCCCCO
InChIInChI=1S/C13H26O2/c1-2-3-4-7-10-13(15)11-8-5-6-9-12-14/h14H,2-12H2,1H3
InChIKeyMKRFPVHGJVNTQH-UHFFFAOYSA-N
XLogP3.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.47
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

28-hydroxyoctacosan-7-one
CID 15088059
1-hydroxydotriacontan-15-one
CID 71420958
1-hydroxydecan-5-one
CID 11658362
1-hydroxynonadecan-4-one
CID 91351841
pentacosane-7,19-dione
CID 139254510
pentacosan-7-one
CID 54551687
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
1-hydroxyheptadecane-2,9-dione
CID 153452315

Frequently Asked Questions

What is the IUPAC name of 1-hydroxytridecan-7-one?
The IUPAC name of 1-hydroxytridecan-7-one (CID 87401341) is 1-hydroxytridecan-7-one.
What is the SMILES notation for 1-hydroxytridecan-7-one?
The canonical SMILES for 1-hydroxytridecan-7-one is CCCCCCC(=O)CCCCCCO.
What is the InChIKey of 1-hydroxytridecan-7-one?
The InChIKey is MKRFPVHGJVNTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-2-3-4-7-10-13(15)11-8-5-6-9-12-14/h14H,2-12H2,1H3.
What are the key properties of 1-hydroxytridecan-7-one?
1-hydroxytridecan-7-one has a molecular weight of 214.35 g/mol, XLogP of 3.47, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxytridecan-7-one is sourced from PubChem (CID 87401341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).