(2R,4E,8E)-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol

C30H50O — CID 10550383

IUPAC(2R,4E,8E)-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
SMILESC=C(CC/C=C(\C)CCC=C(C)C)[C@H](CO)C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C30H50O/c1-24(2)13-9-15-26(5)17-11-18-28(7)21-22-30(23-31)29(8)20-12-19-27(6)16-10-14-25(3)4/h13-14,17,19,21,30-31H,8-12,15-16,18,20,22-23H2,1-7H3/b26-17+,27-19+,28-21+/t30-/m0/s1
InChIKeyAACFCESRKATSDI-SOKZWFQPSA-N
MW426.73 g/mol
LogP9.43
Rot. Bonds16

About (2R,4E,8E)-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol

(2R,4E,8E)-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol (PubChem CID 10550383) has the molecular formula C30H50O and a molecular weight of 426.73 g/mol. Its IUPAC name is (2R,4E,8E)-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol.

Molecular Properties

Compound Name(2R,4E,8E)-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
PubChem CID10550383
Molecular FormulaC30H50O
Molecular Weight426.73 g/mol
Exact Mass426.39
IUPAC Name(2R,4E,8E)-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
SMILESC=C(CC/C=C(\C)CCC=C(C)C)[C@H](CO)C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C30H50O/c1-24(2)13-9-15-26(5)17-11-18-28(7)21-22-30(23-31)29(8)20-12-19-27(6)16-10-14-25(3)4/h13-14,17,19,21,30-31H,8-12,15-16,18,20,22-23H2,1-7H3/b26-17+,27-19+,28-21+/t30-/m0/s1
InChIKeyAACFCESRKATSDI-SOKZWFQPSA-N
XLogP9.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.73
LogP ≤ 59.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,4E,8E)-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4E,8E)-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol?
The IUPAC name of (2R,4E,8E)-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol (CID 10550383) is (2R,4E,8E)-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol.
What is the SMILES notation for (2R,4E,8E)-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol?
The canonical SMILES for (2R,4E,8E)-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol is C=C(CC/C=C(\C)CCC=C(C)C)[C@H](CO)C/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2R,4E,8E)-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol?
The InChIKey is AACFCESRKATSDI-SOKZWFQPSA-N. The full InChI is InChI=1S/C30H50O/c1-24(2)13-9-15-26(5)17-11-18-28(7)21-22-30(23-31)29(8)20-12-19-27(6)16-10-14-25(3)4/h13-14,17,19,21,30-31H,8-12,15-16,18,20,22-23H2,1-7H3/b26-17+,27-19+,28-21+/t30-/m0/s1.
What are the key properties of (2R,4E,8E)-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol?
(2R,4E,8E)-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol has a molecular weight of 426.73 g/mol, XLogP of 9.43, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4E,8E)-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol is sourced from PubChem (CID 10550383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).