decan-3-ol

C10H22O — CID 519158

IUPACdecan-3-ol
SMILESCCCCCCCC(O)CC
InChIInChI=1S/C10H22O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-9H2,1-2H3
InChIKeyICEQLCZWZXUUIJ-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.12
Rot. Bonds7

About decan-3-ol

decan-3-ol (PubChem CID 519158) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is decan-3-ol.

Molecular Properties

Compound Namedecan-3-ol
PubChem CID519158
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Namedecan-3-ol
SMILESCCCCCCCC(O)CC
InChIInChI=1S/C10H22O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-9H2,1-2H3
InChIKeyICEQLCZWZXUUIJ-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 decan-3-ol?
The IUPAC name of decan-3-ol (CID 519158) is decan-3-ol.
What is the SMILES notation for decan-3-ol?
The canonical SMILES for decan-3-ol is CCCCCCCC(O)CC.
What is the InChIKey of decan-3-ol?
The InChIKey is ICEQLCZWZXUUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-9H2,1-2H3.
What are the key properties of decan-3-ol?
decan-3-ol has a molecular weight of 158.28 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decan-3-ol is sourced from PubChem (CID 519158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).