(E)-tridec-8-en-2-ol

C13H26O — CID 173250287

IUPAC(E)-tridec-8-en-2-ol
SMILESCCCC/C=C/CCCCCC(C)O
InChIInChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h6-7,13-14H,3-5,8-12H2,1-2H3/b7-6+
InChIKeyNWVWPGQCPKZARO-VOTSOKGWSA-N
MW198.35 g/mol
LogP4.06
Rot. Bonds9

About (E)-tridec-8-en-2-ol

(E)-tridec-8-en-2-ol (PubChem CID 173250287) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (E)-tridec-8-en-2-ol.

Molecular Properties

Compound Name(E)-tridec-8-en-2-ol
PubChem CID173250287
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(E)-tridec-8-en-2-ol
SMILESCCCC/C=C/CCCCCC(C)O
InChIInChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h6-7,13-14H,3-5,8-12H2,1-2H3/b7-6+
InChIKeyNWVWPGQCPKZARO-VOTSOKGWSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.06
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

(Z)-henicos-12-en-2-ol
CID 141141779
heptadec-9-en-2-ol
CID 54154410
icos-9-en-2-ol
CID 91416664
(Z)-tridec-7-en-2-ol
CID 89138962
nonadeca-7,10,13-trien-2-ol
CID 54048695
(E)-dodec-5-en-2-ol
CID 10511710
(E)-undec-8-en-2-ol
CID 118316981
tetracos-5-en-2-ol
CID 173208999
(E,2R)-dec-7-en-2-ol
CID 89151124
(E)-hentetracont-36-en-5-ol
CID 87492179
(2S)-octadecan-2-ol
CID 25022019
docosan-2-ol
CID 14151025

Frequently Asked Questions

What is the IUPAC name of (E)-tridec-8-en-2-ol?
The IUPAC name of (E)-tridec-8-en-2-ol (CID 173250287) is (E)-tridec-8-en-2-ol.
What is the SMILES notation for (E)-tridec-8-en-2-ol?
The canonical SMILES for (E)-tridec-8-en-2-ol is CCCC/C=C/CCCCCC(C)O.
What is the InChIKey of (E)-tridec-8-en-2-ol?
The InChIKey is NWVWPGQCPKZARO-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h6-7,13-14H,3-5,8-12H2,1-2H3/b7-6+.
What are the key properties of (E)-tridec-8-en-2-ol?
(E)-tridec-8-en-2-ol has a molecular weight of 198.35 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-tridec-8-en-2-ol is sourced from PubChem (CID 173250287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).