(E,2S)-tridec-10-en-2-ol

C13H26O — CID 45101655

IUPAC(E,2S)-tridec-10-en-2-ol
SMILESCC/C=C/CCCCCCC[C@H](C)O
InChIInChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h4-5,13-14H,3,6-12H2,1-2H3/b5-4+/t13-/m0/s1
InChIKeyUQVARQDMXOJMSY-IHVVCDCBSA-N
MW198.35 g/mol
LogP4.06
Rot. Bonds9

About (E,2S)-tridec-10-en-2-ol

(E,2S)-tridec-10-en-2-ol (PubChem CID 45101655) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (E,2S)-tridec-10-en-2-ol.

Molecular Properties

Compound Name(E,2S)-tridec-10-en-2-ol
PubChem CID45101655
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(E,2S)-tridec-10-en-2-ol
SMILESCC/C=C/CCCCCCC[C@H](C)O
InChIInChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h4-5,13-14H,3,6-12H2,1-2H3/b5-4+/t13-/m0/s1
InChIKeyUQVARQDMXOJMSY-IHVVCDCBSA-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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Frequently Asked Questions

What is the IUPAC name of (E,2S)-tridec-10-en-2-ol?
The IUPAC name of (E,2S)-tridec-10-en-2-ol (CID 45101655) is (E,2S)-tridec-10-en-2-ol.
What is the SMILES notation for (E,2S)-tridec-10-en-2-ol?
The canonical SMILES for (E,2S)-tridec-10-en-2-ol is CC/C=C/CCCCCCC[C@H](C)O.
What is the InChIKey of (E,2S)-tridec-10-en-2-ol?
The InChIKey is UQVARQDMXOJMSY-IHVVCDCBSA-N. The full InChI is InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h4-5,13-14H,3,6-12H2,1-2H3/b5-4+/t13-/m0/s1.
What are the key properties of (E,2S)-tridec-10-en-2-ol?
(E,2S)-tridec-10-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,2S)-tridec-10-en-2-ol is sourced from PubChem (CID 45101655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).