(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol

C15H26O2 — CID 140692996

IUPAC(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C\C(O)O
InChIInChI=1S/C15H26O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h7,9,11,15-17H,5-6,8,10H2,1-4H3/b13-9+,14-11-
InChIKeyBAYSYPLPASIIFF-UBWQMIQVSA-N
MW238.37 g/mol
LogP3.72
Rot. Bonds7

About (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol

(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol (PubChem CID 140692996) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol.

Molecular Properties

Compound Name(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol
PubChem CID140692996
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C\C(O)O
InChIInChI=1S/C15H26O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h7,9,11,15-17H,5-6,8,10H2,1-4H3/b13-9+,14-11-
InChIKeyBAYSYPLPASIIFF-UBWQMIQVSA-N
XLogP3.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
CID 88794076
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol
CID 10890690
(4E,8E)-3-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
CID 19705901
3,7,11,15,19-pentamethyl-1-methylsulfonylicosa-2,6,10,14,18-pentaen-1-ol
CID 54376862
[(1R,2Z,6Z)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid
CID 125183305
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal
CID 6433322
hydroxy-[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxophosphanium
CID 88942982

Frequently Asked Questions

What is the IUPAC name of (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol?
The IUPAC name of (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol (CID 140692996) is (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol.
What is the SMILES notation for (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol?
The canonical SMILES for (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol is CC(C)=CCC/C(C)=C/CC/C(C)=C\C(O)O.
What is the InChIKey of (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol?
The InChIKey is BAYSYPLPASIIFF-UBWQMIQVSA-N. The full InChI is InChI=1S/C15H26O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h7,9,11,15-17H,5-6,8,10H2,1-4H3/b13-9+,14-11-.
What are the key properties of (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol?
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol has a molecular weight of 238.37 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol is sourced from PubChem (CID 140692996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).