(E,5S)-tridec-2-en-5-ol

C13H26O — CID 87621618

IUPAC(E,5S)-tridec-2-en-5-ol
SMILESC/C=C/C[C@@H](O)CCCCCCCC
InChIInChI=1S/C13H26O/c1-3-5-7-8-9-10-12-13(14)11-6-4-2/h4,6,13-14H,3,5,7-12H2,1-2H3/b6-4+/t13-/m1/s1
InChIKeyWGHCMLYUJUJJFP-DIECRNLCSA-N
MW198.35 g/mol
LogP4.06
Rot. Bonds9

About (E,5S)-tridec-2-en-5-ol

(E,5S)-tridec-2-en-5-ol (PubChem CID 87621618) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (E,5S)-tridec-2-en-5-ol.

Molecular Properties

Compound Name(E,5S)-tridec-2-en-5-ol
PubChem CID87621618
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(E,5S)-tridec-2-en-5-ol
SMILESC/C=C/C[C@@H](O)CCCCCCCC
InChIInChI=1S/C13H26O/c1-3-5-7-8-9-10-12-13(14)11-6-4-2/h4,6,13-14H,3,5,7-12H2,1-2H3/b6-4+/t13-/m1/s1
InChIKeyWGHCMLYUJUJJFP-DIECRNLCSA-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)-tridec-2-en-5-ol
CID 11564658
(E,7R,11R)-heptadec-8-ene-7,11-diol
CID 101453637
(E)-octadec-1-ene-1,4-diol
CID 87483971
(Z)-octadec-10-en-8-ol
CID 173051806
(Z)-pentadec-8-en-6-ol
CID 10398809
(E,10S)-henicos-7-en-10-ol
CID 14607531
(4S)-1-trimethylsilyldec-1-en-4-ol
CID 71378024
non-2-en-5-ol;(Z)-octadec-9-enoic acid
CID 158473796
(Z)-tridec-8-en-6-ol
CID 170849340
19-hydroxytricos-21-enoic acid
CID 169277159
(E)-heptadec-7-en-5-ol
CID 122442571
5-hydroxyundec-2-enoic acid
CID 54094975

Frequently Asked Questions

What is the IUPAC name of (E,5S)-tridec-2-en-5-ol?
The IUPAC name of (E,5S)-tridec-2-en-5-ol (CID 87621618) is (E,5S)-tridec-2-en-5-ol.
What is the SMILES notation for (E,5S)-tridec-2-en-5-ol?
The canonical SMILES for (E,5S)-tridec-2-en-5-ol is C/C=C/C[C@@H](O)CCCCCCCC.
What is the InChIKey of (E,5S)-tridec-2-en-5-ol?
The InChIKey is WGHCMLYUJUJJFP-DIECRNLCSA-N. The full InChI is InChI=1S/C13H26O/c1-3-5-7-8-9-10-12-13(14)11-6-4-2/h4,6,13-14H,3,5,7-12H2,1-2H3/b6-4+/t13-/m1/s1.
What are the key properties of (E,5S)-tridec-2-en-5-ol?
(E,5S)-tridec-2-en-5-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,5S)-tridec-2-en-5-ol is sourced from PubChem (CID 87621618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).