dodecan-1-ol

C12H26O — CID 8193

IUPACdodecan-1-ol
SMILESCCCCCCCCCCCCO
InChIInChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
InChIKeyLQZZUXJYWNFBMV-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.90
Rot. Bonds10

About dodecan-1-ol

dodecan-1-ol (PubChem CID 8193) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is dodecan-1-ol.

Molecular Properties

Compound Namedodecan-1-ol
PubChem CID8193
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Namedodecan-1-ol
SMILESCCCCCCCCCCCCO
InChIInChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
InChIKeyLQZZUXJYWNFBMV-UHFFFAOYSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.90
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-Tetradecanol
CID 8209
Behenyl Alcohol
CID 12620
Stearyl Alcohol
CID 8221
1-Decanol
CID 8174
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 dodecan-1-ol?
The IUPAC name of dodecan-1-ol (CID 8193) is dodecan-1-ol.
What is the SMILES notation for dodecan-1-ol?
The canonical SMILES for dodecan-1-ol is CCCCCCCCCCCCO.
What is the InChIKey of dodecan-1-ol?
The InChIKey is LQZZUXJYWNFBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3.
What are the key properties of dodecan-1-ol?
dodecan-1-ol has a molecular weight of 186.34 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-1-ol is sourced from PubChem (CID 8193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).