(3R,5Z,9R,10E)-dodeca-1,5,10-triene-3,9-diol

C12H20O2 — CID 15441076

IUPAC(3R,5Z,9R,10E)-dodeca-1,5,10-triene-3,9-diol
SMILESC=C[C@H](O)C/C=C\CC[C@@H](O)/C=C/C
InChIInChI=1S/C12H20O2/c1-3-8-12(14)10-7-5-6-9-11(13)4-2/h3-6,8,11-14H,2,7,9-10H2,1H3/b6-5-,8-3+/t11-,12-/m0/s1
InChIKeyRNUCIRODTXLBNP-GITPXMONSA-N
MW196.29 g/mol
LogP2.20
Rot. Bonds7

About (3R,5Z,9R,10E)-dodeca-1,5,10-triene-3,9-diol

(3R,5Z,9R,10E)-dodeca-1,5,10-triene-3,9-diol (PubChem CID 15441076) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (3R,5Z,9R,10E)-dodeca-1,5,10-triene-3,9-diol.

Molecular Properties

Compound Name(3R,5Z,9R,10E)-dodeca-1,5,10-triene-3,9-diol
PubChem CID15441076
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(3R,5Z,9R,10E)-dodeca-1,5,10-triene-3,9-diol
SMILESC=C[C@H](O)C/C=C\CC[C@@H](O)/C=C/C
InChIInChI=1S/C12H20O2/c1-3-8-12(14)10-7-5-6-9-11(13)4-2/h3-6,8,11-14H,2,7,9-10H2,1H3/b6-5-,8-3+/t11-,12-/m0/s1
InChIKeyRNUCIRODTXLBNP-GITPXMONSA-N
XLogP2.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R,5Z,9R,10E)-dodeca-1,5,10-triene-3,9-diol with MolForge

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Related Compounds

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octa-1,5,7-trien-3-ol
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CID 10931836
(6E)-3-methylocta-1,6-diene
CID 14140905
nona-1,7-dien-5-ol
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(E)-non-7-ene-2,6-diol
CID 87908692
hexa-1,5-dien-3-ol;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (3R,5Z,9R,10E)-dodeca-1,5,10-triene-3,9-diol?
The IUPAC name of (3R,5Z,9R,10E)-dodeca-1,5,10-triene-3,9-diol (CID 15441076) is (3R,5Z,9R,10E)-dodeca-1,5,10-triene-3,9-diol.
What is the SMILES notation for (3R,5Z,9R,10E)-dodeca-1,5,10-triene-3,9-diol?
The canonical SMILES for (3R,5Z,9R,10E)-dodeca-1,5,10-triene-3,9-diol is C=C[C@H](O)C/C=C\CC[C@@H](O)/C=C/C.
What is the InChIKey of (3R,5Z,9R,10E)-dodeca-1,5,10-triene-3,9-diol?
The InChIKey is RNUCIRODTXLBNP-GITPXMONSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-8-12(14)10-7-5-6-9-11(13)4-2/h3-6,8,11-14H,2,7,9-10H2,1H3/b6-5-,8-3+/t11-,12-/m0/s1.
What are the key properties of (3R,5Z,9R,10E)-dodeca-1,5,10-triene-3,9-diol?
(3R,5Z,9R,10E)-dodeca-1,5,10-triene-3,9-diol has a molecular weight of 196.29 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5Z,9R,10E)-dodeca-1,5,10-triene-3,9-diol is sourced from PubChem (CID 15441076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).