(3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol

C15H26O — CID 5356544

IUPAC(3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
SMILESC=C[C@@](C)(O)CC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11-/t15-/m1/s1
InChIKeyFQTLCLSUCSAZDY-QKXCFHHRSA-N
MW222.37 g/mol
LogP4.40
Rot. Bonds7

About (3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol

(3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol (PubChem CID 5356544) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol.

Molecular Properties

Compound Name(3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
PubChem CID5356544
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
SMILESC=C[C@@](C)(O)CC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11-/t15-/m1/s1
InChIKeyFQTLCLSUCSAZDY-QKXCFHHRSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol?
The IUPAC name of (3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol (CID 5356544) is (3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol.
What is the SMILES notation for (3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol?
The canonical SMILES for (3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol is C=C[C@@](C)(O)CC/C=C(/C)CCC=C(C)C.
What is the InChIKey of (3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol?
The InChIKey is FQTLCLSUCSAZDY-QKXCFHHRSA-N. The full InChI is InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11-/t15-/m1/s1.
What are the key properties of (3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol?
(3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol has a molecular weight of 222.37 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol is sourced from PubChem (CID 5356544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).