dodeca-1,3,10-trien-1-ol

C12H20O — CID 173156092

IUPACdodeca-1,3,10-trien-1-ol
SMILESCC=CCCCCCC=CC=CO
InChIInChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-3,9-13H,4-8H2,1H3
InChIKeyMKNNVCYRGMAIAL-UHFFFAOYSA-N
MW180.29 g/mol
LogP4.14
Rot. Bonds7

About dodeca-1,3,10-trien-1-ol

dodeca-1,3,10-trien-1-ol (PubChem CID 173156092) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is dodeca-1,3,10-trien-1-ol.

Molecular Properties

Compound Namedodeca-1,3,10-trien-1-ol
PubChem CID173156092
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Namedodeca-1,3,10-trien-1-ol
SMILESCC=CCCCCCC=CC=CO
InChIInChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-3,9-13H,4-8H2,1H3
InChIKeyMKNNVCYRGMAIAL-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

tetradeca-1,3-dien-1-ol
CID 73437176
(1Z,3Z)-undeca-1,3-dien-1-ol
CID 86738537
(1E)-octadeca-1,3,5-trien-1-ol
CID 175012248
(1E)-docosa-1,3,5,7,9,11-hexaen-1-ol
CID 173206740
(1E,3E,5E)-pentadeca-1,3,5-trien-1-ol
CID 18352229
(1E,3E,5Z)-octadeca-1,3,5-trien-1-ol
CID 90419850
(1E,3E,5E,7Z,9Z,11E)-docosa-1,3,5,7,9,11-hexaen-1-ol
CID 87558928
hentriaconta-2,10,29-triene
CID 150025785
bis(dodeca-2,10-diene);methane
CID 159815244
icosa-2,10,18-triene
CID 74063823
(1E)-octa-1,3-dien-1-ol
CID 154003406
12,12-dimethyltrideca-1,3,5-trien-1-ol
CID 140507616

Frequently Asked Questions

What is the IUPAC name of dodeca-1,3,10-trien-1-ol?
The IUPAC name of dodeca-1,3,10-trien-1-ol (CID 173156092) is dodeca-1,3,10-trien-1-ol.
What is the SMILES notation for dodeca-1,3,10-trien-1-ol?
The canonical SMILES for dodeca-1,3,10-trien-1-ol is CC=CCCCCCC=CC=CO.
What is the InChIKey of dodeca-1,3,10-trien-1-ol?
The InChIKey is MKNNVCYRGMAIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-3,9-13H,4-8H2,1H3.
What are the key properties of dodeca-1,3,10-trien-1-ol?
dodeca-1,3,10-trien-1-ol has a molecular weight of 180.29 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodeca-1,3,10-trien-1-ol is sourced from PubChem (CID 173156092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).