(3S,5R,6R)-tridec-1-ene-3,5,6-triol

C13H26O3 — CID 88872101

IUPAC(3S,5R,6R)-tridec-1-ene-3,5,6-triol
SMILESC=C[C@@H](O)C[C@@H](O)[C@H](O)CCCCCCC
InChIInChI=1S/C13H26O3/c1-3-5-6-7-8-9-12(15)13(16)10-11(14)4-2/h4,11-16H,2-3,5-10H2,1H3/t11-,12-,13-/m1/s1
InChIKeyBRAQUERYGOLEJQ-JHJVBQTASA-N
MW230.35 g/mol
LogP2.01
Rot. Bonds10

About (3S,5R,6R)-tridec-1-ene-3,5,6-triol

(3S,5R,6R)-tridec-1-ene-3,5,6-triol (PubChem CID 88872101) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is (3S,5R,6R)-tridec-1-ene-3,5,6-triol.

Molecular Properties

Compound Name(3S,5R,6R)-tridec-1-ene-3,5,6-triol
PubChem CID88872101
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name(3S,5R,6R)-tridec-1-ene-3,5,6-triol
SMILESC=C[C@@H](O)C[C@@H](O)[C@H](O)CCCCCCC
InChIInChI=1S/C13H26O3/c1-3-5-6-7-8-9-12(15)13(16)10-11(14)4-2/h4,11-16H,2-3,5-10H2,1H3/t11-,12-,13-/m1/s1
InChIKeyBRAQUERYGOLEJQ-JHJVBQTASA-N
XLogP2.01
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

undec-1-en-3-ol
CID 3015762
(3R)-dec-1-en-3-ol
CID 12619485
heptadec-1-en-3-ol
CID 11858939
nonacosane-14,15-diol
CID 91509633
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
(3S,4R)-3-methylundec-1-en-4-ol
CID 10986975
(7R,8S,10S)-nonacosane-7,8,10-triol
CID 163189131
hexadecane-2,4,5-triol
CID 90443038
(2R,3R)-undecane-1,2,3-triol
CID 15641124
(2S,3S)-decane-1,2,3-triol
CID 12619492
pentadecane-4,5-diol
CID 103454846
dodecane-1,2,4,5-tetrol
CID 175058574

Frequently Asked Questions

What is the IUPAC name of (3S,5R,6R)-tridec-1-ene-3,5,6-triol?
The IUPAC name of (3S,5R,6R)-tridec-1-ene-3,5,6-triol (CID 88872101) is (3S,5R,6R)-tridec-1-ene-3,5,6-triol.
What is the SMILES notation for (3S,5R,6R)-tridec-1-ene-3,5,6-triol?
The canonical SMILES for (3S,5R,6R)-tridec-1-ene-3,5,6-triol is C=C[C@@H](O)C[C@@H](O)[C@H](O)CCCCCCC.
What is the InChIKey of (3S,5R,6R)-tridec-1-ene-3,5,6-triol?
The InChIKey is BRAQUERYGOLEJQ-JHJVBQTASA-N. The full InChI is InChI=1S/C13H26O3/c1-3-5-6-7-8-9-12(15)13(16)10-11(14)4-2/h4,11-16H,2-3,5-10H2,1H3/t11-,12-,13-/m1/s1.
What are the key properties of (3S,5R,6R)-tridec-1-ene-3,5,6-triol?
(3S,5R,6R)-tridec-1-ene-3,5,6-triol has a molecular weight of 230.35 g/mol, XLogP of 2.01, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R,6R)-tridec-1-ene-3,5,6-triol is sourced from PubChem (CID 88872101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).