(2E,6S,7S,10S)-2,6,10-trimethyldodeca-2,11-diene-1,6,7,10-tetrol

C15H28O4 — CID 162968416

IUPAC(2E,6S,7S,10S)-2,6,10-trimethyldodeca-2,11-diene-1,6,7,10-tetrol
SMILESC=C[C@@](C)(O)CC[C@H](O)[C@@](C)(O)CC/C=C(\C)CO
InChIInChI=1S/C15H28O4/c1-5-14(3,18)10-8-13(17)15(4,19)9-6-7-12(2)11-16/h5,7,13,16-19H,1,6,8-11H2,2-4H3/b12-7+/t13-,14+,15-/m0/s1
InChIKeyOXUCICPIXVUUAY-SAIHVBEPSA-N
MW272.38 g/mol
LogP1.53
Rot. Bonds9

About (2E,6S,7S,10S)-2,6,10-trimethyldodeca-2,11-diene-1,6,7,10-tetrol

(2E,6S,7S,10S)-2,6,10-trimethyldodeca-2,11-diene-1,6,7,10-tetrol (PubChem CID 162968416) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is (2E,6S,7S,10S)-2,6,10-trimethyldodeca-2,11-diene-1,6,7,10-tetrol.

Molecular Properties

Compound Name(2E,6S,7S,10S)-2,6,10-trimethyldodeca-2,11-diene-1,6,7,10-tetrol
PubChem CID162968416
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name(2E,6S,7S,10S)-2,6,10-trimethyldodeca-2,11-diene-1,6,7,10-tetrol
SMILESC=C[C@@](C)(O)CC[C@H](O)[C@@](C)(O)CC/C=C(\C)CO
InChIInChI=1S/C15H28O4/c1-5-14(3,18)10-8-13(17)15(4,19)9-6-7-12(2)11-16/h5,7,13,16-19H,1,6,8-11H2,2-4H3/b12-7+/t13-,14+,15-/m0/s1
InChIKeyOXUCICPIXVUUAY-SAIHVBEPSA-N
XLogP1.53
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(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
(2E,6E)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol
CID 57418031
3,7,11,15,19,23,27,31,35,39,43,47,51-tridecamethyldopentaconta-1,6,50-triene-3,10,11,15,19,23,27,31,35,39,43,47-dodecol
CID 85221340
(6E,14E)-10,11-ditert-butyl-3,7,14,18-tetramethylicosa-1,6,14,19-tetraene-3,18-diol
CID 134544188
(3S,6E)-3,7-dimethylnona-1,6-dien-3-ol
CID 38988672
(6E,10S,11S,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,14,18,22-pentaene-10,11-diol
CID 10456150
2,6,10,14-tetramethylhexadeca-2,6,11,15-tetraene-1,10,14-triol
CID 163127323
(3R,6E)-3,7,9,9-tetramethylundeca-1,6,10-trien-3-ol
CID 134861402
(2R,3R)-3,7-dimethyloct-6-ene-1,2,3-triol
CID 10976249
(6E,9E)-3,7,11-trimethyldodeca-1,6,9-trien-3-ol
CID 91751280
(6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol
CID 15602246
3,7,11-trimethyldodeca-1,6,11-trien-3-ol
CID 54462600

Frequently Asked Questions

What is the IUPAC name of (2E,6S,7S,10S)-2,6,10-trimethyldodeca-2,11-diene-1,6,7,10-tetrol?
The IUPAC name of (2E,6S,7S,10S)-2,6,10-trimethyldodeca-2,11-diene-1,6,7,10-tetrol (CID 162968416) is (2E,6S,7S,10S)-2,6,10-trimethyldodeca-2,11-diene-1,6,7,10-tetrol.
What is the SMILES notation for (2E,6S,7S,10S)-2,6,10-trimethyldodeca-2,11-diene-1,6,7,10-tetrol?
The canonical SMILES for (2E,6S,7S,10S)-2,6,10-trimethyldodeca-2,11-diene-1,6,7,10-tetrol is C=C[C@@](C)(O)CC[C@H](O)[C@@](C)(O)CC/C=C(\C)CO.
What is the InChIKey of (2E,6S,7S,10S)-2,6,10-trimethyldodeca-2,11-diene-1,6,7,10-tetrol?
The InChIKey is OXUCICPIXVUUAY-SAIHVBEPSA-N. The full InChI is InChI=1S/C15H28O4/c1-5-14(3,18)10-8-13(17)15(4,19)9-6-7-12(2)11-16/h5,7,13,16-19H,1,6,8-11H2,2-4H3/b12-7+/t13-,14+,15-/m0/s1.
What are the key properties of (2E,6S,7S,10S)-2,6,10-trimethyldodeca-2,11-diene-1,6,7,10-tetrol?
(2E,6S,7S,10S)-2,6,10-trimethyldodeca-2,11-diene-1,6,7,10-tetrol has a molecular weight of 272.38 g/mol, XLogP of 1.53, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6S,7S,10S)-2,6,10-trimethyldodeca-2,11-diene-1,6,7,10-tetrol is sourced from PubChem (CID 162968416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).