(3S,5R,6E,8E)-deca-6,8-diene-1,3,5-triol

C10H18O3 — CID 10947351

IUPAC(3S,5R,6E,8E)-deca-6,8-diene-1,3,5-triol
SMILESC/C=C/C=C/[C@H](O)C[C@@H](O)CCO
InChIInChI=1S/C10H18O3/c1-2-3-4-5-9(12)8-10(13)6-7-11/h2-5,9-13H,6-8H2,1H3/b3-2+,5-4+/t9-,10-/m0/s1
InChIKeyRDEMBVWNDISGTG-WIGPCGMCSA-N
MW186.25 g/mol
LogP0.61
Rot. Bonds6

About (3S,5R,6E,8E)-deca-6,8-diene-1,3,5-triol

(3S,5R,6E,8E)-deca-6,8-diene-1,3,5-triol (PubChem CID 10947351) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3S,5R,6E,8E)-deca-6,8-diene-1,3,5-triol.

Molecular Properties

Compound Name(3S,5R,6E,8E)-deca-6,8-diene-1,3,5-triol
PubChem CID10947351
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(3S,5R,6E,8E)-deca-6,8-diene-1,3,5-triol
SMILESC/C=C/C=C/[C@H](O)C[C@@H](O)CCO
InChIInChI=1S/C10H18O3/c1-2-3-4-5-9(12)8-10(13)6-7-11/h2-5,9-13H,6-8H2,1H3/b3-2+,5-4+/t9-,10-/m0/s1
InChIKeyRDEMBVWNDISGTG-WIGPCGMCSA-N
XLogP0.61
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-Octen-4-ol, (2E)-
CID 5366203
(E)-2-Nonene-1,4-diol
CID 14106146
1,4-Dihydroxy-2-nonene
CID 54541195
(Z)-Oct-2-en-4-ol
CID 6436558
CID 72737944
CID 72737944
Deca-6,8-diene-1,3,5-triol
CID 14706255
(3S,4E,6Z)-pentadeca-4,6-diene-1,3-diol
CID 44342323
(3S,4E,6Z)-undeca-4,6-diene-1,3-diol
CID 44342682
(6E,8E,10S)-pentadeca-6,8-dien-4-yne-1,10-diol
CID 44359772
(E,5R)-tetradec-6-en-8,10,12-triyne-1,5-diol
CID 162890630
(5R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,5,14-triol
CID 162912274
(3R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,3,14-triol
CID 162919827

Frequently Asked Questions

What is the IUPAC name of (3S,5R,6E,8E)-deca-6,8-diene-1,3,5-triol?
The IUPAC name of (3S,5R,6E,8E)-deca-6,8-diene-1,3,5-triol (CID 10947351) is (3S,5R,6E,8E)-deca-6,8-diene-1,3,5-triol.
What is the SMILES notation for (3S,5R,6E,8E)-deca-6,8-diene-1,3,5-triol?
The canonical SMILES for (3S,5R,6E,8E)-deca-6,8-diene-1,3,5-triol is C/C=C/C=C/[C@H](O)C[C@@H](O)CCO.
What is the InChIKey of (3S,5R,6E,8E)-deca-6,8-diene-1,3,5-triol?
The InChIKey is RDEMBVWNDISGTG-WIGPCGMCSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-3-4-5-9(12)8-10(13)6-7-11/h2-5,9-13H,6-8H2,1H3/b3-2+,5-4+/t9-,10-/m0/s1.
What are the key properties of (3S,5R,6E,8E)-deca-6,8-diene-1,3,5-triol?
(3S,5R,6E,8E)-deca-6,8-diene-1,3,5-triol has a molecular weight of 186.25 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R,6E,8E)-deca-6,8-diene-1,3,5-triol is sourced from PubChem (CID 10947351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).