(3R,5R,6E,10R)-3,7,11-trimethyldodeca-1,6,11-triene-3,5,10-triol

C15H26O3 — CID 162965161

IUPAC(3R,5R,6E,10R)-3,7,11-trimethyldodeca-1,6,11-triene-3,5,10-triol
SMILESC=C[C@](C)(O)C[C@@H](O)/C=C(\C)CC[C@@H](O)C(=C)C
InChIInChI=1S/C15H26O3/c1-6-15(5,18)10-13(16)9-12(4)7-8-14(17)11(2)3/h6,9,13-14,16-18H,1-2,7-8,10H2,3-5H3/b12-9+/t13-,14+,15-/m0/s1
InChIKeyUUUBEBQXNXKPPJ-WQXAFCNFSA-N
MW254.37 g/mol
LogP2.34
Rot. Bonds8

About (3R,5R,6E,10R)-3,7,11-trimethyldodeca-1,6,11-triene-3,5,10-triol

(3R,5R,6E,10R)-3,7,11-trimethyldodeca-1,6,11-triene-3,5,10-triol (PubChem CID 162965161) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3R,5R,6E,10R)-3,7,11-trimethyldodeca-1,6,11-triene-3,5,10-triol.

Molecular Properties

Compound Name(3R,5R,6E,10R)-3,7,11-trimethyldodeca-1,6,11-triene-3,5,10-triol
PubChem CID162965161
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(3R,5R,6E,10R)-3,7,11-trimethyldodeca-1,6,11-triene-3,5,10-triol
SMILESC=C[C@](C)(O)C[C@@H](O)/C=C(\C)CC[C@@H](O)C(=C)C
InChIInChI=1S/C15H26O3/c1-6-15(5,18)10-13(16)9-12(4)7-8-14(17)11(2)3/h6,9,13-14,16-18H,1-2,7-8,10H2,3-5H3/b12-9+/t13-,14+,15-/m0/s1
InChIKeyUUUBEBQXNXKPPJ-WQXAFCNFSA-N
XLogP2.34
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,5R,6E,10R)-3,7,11-trimethyldodeca-1,6,11-triene-3,5,10-triol with MolForge

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Related Compounds

(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol
CID 10734640
[(2E,6E,8R,10S)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trienyl] acetate
CID 10827791
(6Z)-7-fluoro-2,6-dimethylhepta-1,6-dien-3-ol
CID 24974006
[(6E,8S,10E,12R,14S)-12,14-dihydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-8-yl] acetate
CID 163101575
2-methyl-6-methylideneocta-1,7-dien-3-ol
CID 534462
(5S)-2,6-dimethylhept-6-ene-2,5-diol
CID 11815994
(5S,6E,8R,10R,11E)-8,10,15-trihydroxy-8,12-dimethyl-5-propan-2-ylpentadeca-6,11-dien-2-one
CID 135390797
(6E,14E)-10,11-ditert-butyl-3,7,14,18-tetramethylicosa-1,6,14,19-tetraene-3,18-diol
CID 134544188
hepta-1,6-diene;2-methylhepta-1,6-dien-3-ol
CID 161073978
4-[(3S,6R)-3-ethenyl-6-hydroxy-3,7-dimethylocta-1,7-dienyl]phenol
CID 162952972
3,6-dimethylocta-1,7-diene-3,6-diol
CID 57150044
(2E,4E,6E)-10-hydroxy-3,7,11-trimethyldodeca-2,4,6,11-tetraenoic acid
CID 21242366

Frequently Asked Questions

What is the IUPAC name of (3R,5R,6E,10R)-3,7,11-trimethyldodeca-1,6,11-triene-3,5,10-triol?
The IUPAC name of (3R,5R,6E,10R)-3,7,11-trimethyldodeca-1,6,11-triene-3,5,10-triol (CID 162965161) is (3R,5R,6E,10R)-3,7,11-trimethyldodeca-1,6,11-triene-3,5,10-triol.
What is the SMILES notation for (3R,5R,6E,10R)-3,7,11-trimethyldodeca-1,6,11-triene-3,5,10-triol?
The canonical SMILES for (3R,5R,6E,10R)-3,7,11-trimethyldodeca-1,6,11-triene-3,5,10-triol is C=C[C@](C)(O)C[C@@H](O)/C=C(\C)CC[C@@H](O)C(=C)C.
What is the InChIKey of (3R,5R,6E,10R)-3,7,11-trimethyldodeca-1,6,11-triene-3,5,10-triol?
The InChIKey is UUUBEBQXNXKPPJ-WQXAFCNFSA-N. The full InChI is InChI=1S/C15H26O3/c1-6-15(5,18)10-13(16)9-12(4)7-8-14(17)11(2)3/h6,9,13-14,16-18H,1-2,7-8,10H2,3-5H3/b12-9+/t13-,14+,15-/m0/s1.
What are the key properties of (3R,5R,6E,10R)-3,7,11-trimethyldodeca-1,6,11-triene-3,5,10-triol?
(3R,5R,6E,10R)-3,7,11-trimethyldodeca-1,6,11-triene-3,5,10-triol has a molecular weight of 254.37 g/mol, XLogP of 2.34, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,6E,10R)-3,7,11-trimethyldodeca-1,6,11-triene-3,5,10-triol is sourced from PubChem (CID 162965161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).