(2E,6E,10E)-3,7,11-trimethyl-12-phenyldodeca-2,6,10-trien-1-ol

C21H30O — CID 53310712

IUPAC(2E,6E,10E)-3,7,11-trimethyl-12-phenyldodeca-2,6,10-trien-1-ol
SMILESC/C(=C\CO)CC/C=C(\C)CC/C=C(\C)Cc1ccccc1
InChIInChI=1S/C21H30O/c1-18(9-7-11-19(2)15-16-22)10-8-12-20(3)17-21-13-5-4-6-14-21/h4-6,9,12-15,22H,7-8,10-11,16-17H2,1-3H3/b18-9+,19-15+,20-12+
InChIKeySOEXKUNUJWOCRZ-OSWOODOJSA-N
MW298.47 g/mol
LogP5.62
Rot. Bonds9

About (2E,6E,10E)-3,7,11-trimethyl-12-phenyldodeca-2,6,10-trien-1-ol

(2E,6E,10E)-3,7,11-trimethyl-12-phenyldodeca-2,6,10-trien-1-ol (PubChem CID 53310712) has the molecular formula C21H30O and a molecular weight of 298.47 g/mol. Its IUPAC name is (2E,6E,10E)-3,7,11-trimethyl-12-phenyldodeca-2,6,10-trien-1-ol.

Molecular Properties

Compound Name(2E,6E,10E)-3,7,11-trimethyl-12-phenyldodeca-2,6,10-trien-1-ol
PubChem CID53310712
Molecular FormulaC21H30O
Molecular Weight298.47 g/mol
Exact Mass298.23
IUPAC Name(2E,6E,10E)-3,7,11-trimethyl-12-phenyldodeca-2,6,10-trien-1-ol
SMILESC/C(=C\CO)CC/C=C(\C)CC/C=C(\C)Cc1ccccc1
InChIInChI=1S/C21H30O/c1-18(9-7-11-19(2)15-16-22)10-8-12-20(3)17-21-13-5-4-6-14-21/h4-6,9,12-15,22H,7-8,10-11,16-17H2,1-3H3/b18-9+,19-15+,20-12+
InChIKeySOEXKUNUJWOCRZ-OSWOODOJSA-N
XLogP5.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,6E,10E)-3,7,11-trimethyl-12-phenyldodeca-2,6,10-trien-1-ol with MolForge

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Related Compounds

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(2E,6E)-8-(2-benzylanilino)-3,7-dimethylocta-2,6-dien-1-ol
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(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
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Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E)-3,7,11-trimethyl-12-phenyldodeca-2,6,10-trien-1-ol?
The IUPAC name of (2E,6E,10E)-3,7,11-trimethyl-12-phenyldodeca-2,6,10-trien-1-ol (CID 53310712) is (2E,6E,10E)-3,7,11-trimethyl-12-phenyldodeca-2,6,10-trien-1-ol.
What is the SMILES notation for (2E,6E,10E)-3,7,11-trimethyl-12-phenyldodeca-2,6,10-trien-1-ol?
The canonical SMILES for (2E,6E,10E)-3,7,11-trimethyl-12-phenyldodeca-2,6,10-trien-1-ol is C/C(=C\CO)CC/C=C(\C)CC/C=C(\C)Cc1ccccc1.
What is the InChIKey of (2E,6E,10E)-3,7,11-trimethyl-12-phenyldodeca-2,6,10-trien-1-ol?
The InChIKey is SOEXKUNUJWOCRZ-OSWOODOJSA-N. The full InChI is InChI=1S/C21H30O/c1-18(9-7-11-19(2)15-16-22)10-8-12-20(3)17-21-13-5-4-6-14-21/h4-6,9,12-15,22H,7-8,10-11,16-17H2,1-3H3/b18-9+,19-15+,20-12+.
What are the key properties of (2E,6E,10E)-3,7,11-trimethyl-12-phenyldodeca-2,6,10-trien-1-ol?
(2E,6E,10E)-3,7,11-trimethyl-12-phenyldodeca-2,6,10-trien-1-ol has a molecular weight of 298.47 g/mol, XLogP of 5.62, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-3,7,11-trimethyl-12-phenyldodeca-2,6,10-trien-1-ol is sourced from PubChem (CID 53310712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).