2,3,3-trimethyltetradec-13-en-2-ol

C17H34O — CID 15425796

IUPAC2,3,3-trimethyltetradec-13-en-2-ol
SMILESC=CCCCCCCCCCC(C)(C)C(C)(C)O
InChIInChI=1S/C17H34O/c1-6-7-8-9-10-11-12-13-14-15-16(2,3)17(4,5)18/h6,18H,1,7-15H2,2-5H3
InChIKeyHWAANFRSCTYGDJ-UHFFFAOYSA-N
MW254.46 g/mol
LogP5.48
Rot. Bonds11

About 2,3,3-trimethyltetradec-13-en-2-ol

2,3,3-trimethyltetradec-13-en-2-ol (PubChem CID 15425796) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is 2,3,3-trimethyltetradec-13-en-2-ol.

Molecular Properties

Compound Name2,3,3-trimethyltetradec-13-en-2-ol
PubChem CID15425796
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name2,3,3-trimethyltetradec-13-en-2-ol
SMILESC=CCCCCCCCCCC(C)(C)C(C)(C)O
InChIInChI=1S/C17H34O/c1-6-7-8-9-10-11-12-13-14-15-16(2,3)17(4,5)18/h6,18H,1,7-15H2,2-5H3
InChIKeyHWAANFRSCTYGDJ-UHFFFAOYSA-N
XLogP5.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.48
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 162603112
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4,4-dimethylhenicosa-1,20-diene
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7-fluoro-7-methyloct-1-ene
CID 87159398
2-bromo-2-methyltetradec-13-enoic acid
CID 87350164
heptadeca-1,16-diene
CID 6429392
heptacosa-1,26-diene
CID 58905535
2-(hydroxymethyl)-2-non-8-enylpropane-1,3-diol
CID 11521477
2-amino-2-methyldec-9-enoic acid
CID 76833646
3,3-dimethyldec-9-en-1-amine
CID 107010664
8,8,8-trifluorooct-1-ene
CID 11008282
2-methyl-2-propyldec-9-enoic acid
CID 151821272

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyltetradec-13-en-2-ol?
The IUPAC name of 2,3,3-trimethyltetradec-13-en-2-ol (CID 15425796) is 2,3,3-trimethyltetradec-13-en-2-ol.
What is the SMILES notation for 2,3,3-trimethyltetradec-13-en-2-ol?
The canonical SMILES for 2,3,3-trimethyltetradec-13-en-2-ol is C=CCCCCCCCCCC(C)(C)C(C)(C)O.
What is the InChIKey of 2,3,3-trimethyltetradec-13-en-2-ol?
The InChIKey is HWAANFRSCTYGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O/c1-6-7-8-9-10-11-12-13-14-15-16(2,3)17(4,5)18/h6,18H,1,7-15H2,2-5H3.
What are the key properties of 2,3,3-trimethyltetradec-13-en-2-ol?
2,3,3-trimethyltetradec-13-en-2-ol has a molecular weight of 254.46 g/mol, XLogP of 5.48, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyltetradec-13-en-2-ol is sourced from PubChem (CID 15425796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).