1-Decanol

C10H22O — CID 8174

IUPACdecan-1-ol
SMILESCCCCCCCCCCO
InChIInChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
InChIKeyMWKFXSUHUHTGQN-UHFFFAOYSA-N
MW158.28 g/mol
LogP4.60
Rot. Bonds8

About 1-Decanol

1-Decanol (PubChem CID 8174) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is decan-1-ol.

Molecular Properties

Compound Name1-Decanol
PubChem CID8174
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Namedecan-1-ol
SMILESCCCCCCCCCCO
InChIInChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
InChIKeyMWKFXSUHUHTGQN-UHFFFAOYSA-N
XLogP4.60
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms11
Complexity61

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 54.60
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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Related Compounds

1-Octanol
CID 957
1-Dodecanol
CID 8193
1-Tetradecanol
CID 8209
Behenyl Alcohol
CID 12620
Stearyl Alcohol
CID 8221
Cetyl Alcohol
CID 2682
2-Octanol
CID 20083
Heptanol
CID 8129
1-Tridecanol
CID 8207
1-Undecanol
CID 8184
1-Nonanol
CID 8914
1-Heptadecanol
CID 15076

Frequently Asked Questions

What is the IUPAC name of 1-Decanol?
The IUPAC name of 1-Decanol (CID 8174) is decan-1-ol.
What is the SMILES notation for 1-Decanol?
The canonical SMILES for 1-Decanol is CCCCCCCCCCO.
What is the InChIKey of 1-Decanol?
The InChIKey is MWKFXSUHUHTGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3.
What are the key properties of 1-Decanol?
1-Decanol has a molecular weight of 158.28 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Decanol is sourced from PubChem (CID 8174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).