(3S,5R,6R,7E,9Z)-6-methyldodeca-7,9-diene-3,5-diol

C13H24O2 — CID 88931873

IUPAC(3S,5R,6R,7E,9Z)-6-methyldodeca-7,9-diene-3,5-diol
SMILESCC/C=C\C=C\[C@@H](C)[C@H](O)C[C@@H](O)CC
InChIInChI=1S/C13H24O2/c1-4-6-7-8-9-11(3)13(15)10-12(14)5-2/h6-9,11-15H,4-5,10H2,1-3H3/b7-6-,9-8+/t11-,12+,13-/m1/s1
InChIKeySYSWDNQEKJTOKE-WXEYEEQRSA-N
MW212.33 g/mol
LogP2.67
Rot. Bonds7

About (3S,5R,6R,7E,9Z)-6-methyldodeca-7,9-diene-3,5-diol

(3S,5R,6R,7E,9Z)-6-methyldodeca-7,9-diene-3,5-diol (PubChem CID 88931873) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (3S,5R,6R,7E,9Z)-6-methyldodeca-7,9-diene-3,5-diol.

Molecular Properties

Compound Name(3S,5R,6R,7E,9Z)-6-methyldodeca-7,9-diene-3,5-diol
PubChem CID88931873
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(3S,5R,6R,7E,9Z)-6-methyldodeca-7,9-diene-3,5-diol
SMILESCC/C=C\C=C\[C@@H](C)[C@H](O)C[C@@H](O)CC
InChIInChI=1S/C13H24O2/c1-4-6-7-8-9-11(3)13(15)10-12(14)5-2/h6-9,11-15H,4-5,10H2,1-3H3/b7-6-,9-8+/t11-,12+,13-/m1/s1
InChIKeySYSWDNQEKJTOKE-WXEYEEQRSA-N
XLogP2.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octa-3,5-dien-2-ol
CID 543636
(3R,5S)-2-methylheptane-3,5-diol
CID 134975800
(4S,5R)-5-hydroxy-4-methylhept-2-enal
CID 173171870
(5E)-4-methylocta-5,7-dien-3-ol
CID 15579187
(3R,5R)-heptane-3,5-diol
CID 12641368
(5E)-octa-3,5-diene
CID 173104147
(E)-6-hydroxy-5-methyloct-3-en-2-one
CID 21022275
3-methylhept-4-en-2-ol
CID 90779417
ethane;(3Z,5Z)-octa-3,5-diene
CID 142104932
carbanide;hexane-2,4-diol;yttrium
CID 59749638
(E,3R)-hept-4-en-3-ol
CID 11007865
(3R,5S)-5-sulfanylhexan-3-ol
CID 101345541

Frequently Asked Questions

What is the IUPAC name of (3S,5R,6R,7E,9Z)-6-methyldodeca-7,9-diene-3,5-diol?
The IUPAC name of (3S,5R,6R,7E,9Z)-6-methyldodeca-7,9-diene-3,5-diol (CID 88931873) is (3S,5R,6R,7E,9Z)-6-methyldodeca-7,9-diene-3,5-diol.
What is the SMILES notation for (3S,5R,6R,7E,9Z)-6-methyldodeca-7,9-diene-3,5-diol?
The canonical SMILES for (3S,5R,6R,7E,9Z)-6-methyldodeca-7,9-diene-3,5-diol is CC/C=C\C=C\[C@@H](C)[C@H](O)C[C@@H](O)CC.
What is the InChIKey of (3S,5R,6R,7E,9Z)-6-methyldodeca-7,9-diene-3,5-diol?
The InChIKey is SYSWDNQEKJTOKE-WXEYEEQRSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-6-7-8-9-11(3)13(15)10-12(14)5-2/h6-9,11-15H,4-5,10H2,1-3H3/b7-6-,9-8+/t11-,12+,13-/m1/s1.
What are the key properties of (3S,5R,6R,7E,9Z)-6-methyldodeca-7,9-diene-3,5-diol?
(3S,5R,6R,7E,9Z)-6-methyldodeca-7,9-diene-3,5-diol has a molecular weight of 212.33 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R,6R,7E,9Z)-6-methyldodeca-7,9-diene-3,5-diol is sourced from PubChem (CID 88931873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).