2,3-dimethyltrideca-3,8-dien-2-ol

C15H28O — CID 173250349

IUPAC2,3-dimethyltrideca-3,8-dien-2-ol
SMILESCCCCC=CCCCC=C(C)C(C)(C)O
InChIInChI=1S/C15H28O/c1-5-6-7-8-9-10-11-12-13-14(2)15(3,4)16/h8-9,13,16H,5-7,10-12H2,1-4H3
InChIKeyGZSLNKCSBNJSGB-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.62
Rot. Bonds8

About 2,3-dimethyltrideca-3,8-dien-2-ol

2,3-dimethyltrideca-3,8-dien-2-ol (PubChem CID 173250349) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2,3-dimethyltrideca-3,8-dien-2-ol.

Molecular Properties

Compound Name2,3-dimethyltrideca-3,8-dien-2-ol
PubChem CID173250349
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2,3-dimethyltrideca-3,8-dien-2-ol
SMILESCCCCC=CCCCC=C(C)C(C)(C)O
InChIInChI=1S/C15H28O/c1-5-6-7-8-9-10-11-12-13-14(2)15(3,4)16/h8-9,13,16H,5-7,10-12H2,1-4H3
InChIKeyGZSLNKCSBNJSGB-UHFFFAOYSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 175454494
(4E,9Z)-tetradeca-4,9-diene
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2-methylheptadec-12-en-2-ol
CID 90988824
dec-5-ene;trihydrobromide
CID 175802238
(E)-10,10-dimethylundec-5-ene
CID 142794628
(2E,7E)-dodeca-2,7-diene
CID 173295735
2,2-difluoro-3-methyldeca-3,5-diene
CID 123813972
pentadeca-4,10-diene
CID 54306056
docos-5-ene
CID 54227700
nonadec-5-ene
CID 543596
2,2,3-trimethylhept-3-ene
CID 73411222
(E)-2,2-dimethyloct-3-enoic acid
CID 18786053

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyltrideca-3,8-dien-2-ol?
The IUPAC name of 2,3-dimethyltrideca-3,8-dien-2-ol (CID 173250349) is 2,3-dimethyltrideca-3,8-dien-2-ol.
What is the SMILES notation for 2,3-dimethyltrideca-3,8-dien-2-ol?
The canonical SMILES for 2,3-dimethyltrideca-3,8-dien-2-ol is CCCCC=CCCCC=C(C)C(C)(C)O.
What is the InChIKey of 2,3-dimethyltrideca-3,8-dien-2-ol?
The InChIKey is GZSLNKCSBNJSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-5-6-7-8-9-10-11-12-13-14(2)15(3,4)16/h8-9,13,16H,5-7,10-12H2,1-4H3.
What are the key properties of 2,3-dimethyltrideca-3,8-dien-2-ol?
2,3-dimethyltrideca-3,8-dien-2-ol has a molecular weight of 224.39 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyltrideca-3,8-dien-2-ol is sourced from PubChem (CID 173250349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).