(2Z,6Z)-3,7,11-trimethyldodeca-2,6-diene-1,10,11-triol

C15H28O3 — CID 15378080

IUPAC(2Z,6Z)-3,7,11-trimethyldodeca-2,6-diene-1,10,11-triol
SMILESC/C(=C/CO)CC/C=C(/C)CCC(O)C(C)(C)O
InChIInChI=1S/C15H28O3/c1-12(6-5-7-13(2)10-11-16)8-9-14(17)15(3,4)18/h6,10,14,16-18H,5,7-9,11H2,1-4H3/b12-6-,13-10-
InChIKeyIXWNWWMHOFVJGN-HVZNDUSUSA-N
MW256.39 g/mol
LogP2.56
Rot. Bonds8

About (2Z,6Z)-3,7,11-trimethyldodeca-2,6-diene-1,10,11-triol

(2Z,6Z)-3,7,11-trimethyldodeca-2,6-diene-1,10,11-triol (PubChem CID 15378080) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2Z,6Z)-3,7,11-trimethyldodeca-2,6-diene-1,10,11-triol.

Molecular Properties

Compound Name(2Z,6Z)-3,7,11-trimethyldodeca-2,6-diene-1,10,11-triol
PubChem CID15378080
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name(2Z,6Z)-3,7,11-trimethyldodeca-2,6-diene-1,10,11-triol
SMILESC/C(=C/CO)CC/C=C(/C)CCC(O)C(C)(C)O
InChIInChI=1S/C15H28O3/c1-12(6-5-7-13(2)10-11-16)8-9-14(17)15(3,4)18/h6,10,14,16-18H,5,7-9,11H2,1-4H3/b12-6-,13-10-
InChIKeyIXWNWWMHOFVJGN-HVZNDUSUSA-N
XLogP2.56
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z,6E,10R)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid
CID 156580639
(2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid
CID 15825764
(2E,6E,10S,11S,15S,19S,23R,27R,31R)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,34-triene-1,10,11,15,19,23,27,31-octol
CID 124825354
(3R,6E,10E,14E)-6,10,14-trimethyl-2-methylidenehexadeca-6,10,14-triene-1,3,16-triol
CID 163039097
[(3R,6E,10E,14E,18E,22R)-2,22,23-trihydroxy-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraen-3-yl] acetate
CID 24801245
(2E,6S,7S,10E,14E,18S,19S,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-1,6,7,18,19,24-hexol
CID 101223934
(2,3,22,23-tetrahydroxy-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraenyl) acetate
CID 74319233
(3R)-2,6-dimethyloct-6-ene-2,3-diol
CID 141318928
(2E,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dien-1-ol
CID 5366901
3,7-dimethyltrideca-2,6-dien-11-yne-1,10-diol
CID 54021374
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438

Frequently Asked Questions

What is the IUPAC name of (2Z,6Z)-3,7,11-trimethyldodeca-2,6-diene-1,10,11-triol?
The IUPAC name of (2Z,6Z)-3,7,11-trimethyldodeca-2,6-diene-1,10,11-triol (CID 15378080) is (2Z,6Z)-3,7,11-trimethyldodeca-2,6-diene-1,10,11-triol.
What is the SMILES notation for (2Z,6Z)-3,7,11-trimethyldodeca-2,6-diene-1,10,11-triol?
The canonical SMILES for (2Z,6Z)-3,7,11-trimethyldodeca-2,6-diene-1,10,11-triol is C/C(=C/CO)CC/C=C(/C)CCC(O)C(C)(C)O.
What is the InChIKey of (2Z,6Z)-3,7,11-trimethyldodeca-2,6-diene-1,10,11-triol?
The InChIKey is IXWNWWMHOFVJGN-HVZNDUSUSA-N. The full InChI is InChI=1S/C15H28O3/c1-12(6-5-7-13(2)10-11-16)8-9-14(17)15(3,4)18/h6,10,14,16-18H,5,7-9,11H2,1-4H3/b12-6-,13-10-.
What are the key properties of (2Z,6Z)-3,7,11-trimethyldodeca-2,6-diene-1,10,11-triol?
(2Z,6Z)-3,7,11-trimethyldodeca-2,6-diene-1,10,11-triol has a molecular weight of 256.39 g/mol, XLogP of 2.56, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z)-3,7,11-trimethyldodeca-2,6-diene-1,10,11-triol is sourced from PubChem (CID 15378080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).