(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol

C35H58O — CID 88794076

IUPAC(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
SMILESCC(C)=CCCC(C)=CCCC(C)=CC(O)C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C35H58O/c1-28(2)15-10-17-30(5)19-12-20-32(7)21-13-23-33(8)25-26-35(36)27-34(9)24-14-22-31(6)18-11-16-29(3)4/h15-16,19,21-22,25,27,35-36H,10-14,17-18,20,23-24,26H2,1-9H3/b30-19+,31-22?,32-21+,33-25+,34-27?
InChIKeyDOHHQHDOFRYWCE-RCDNBHTCSA-N
MW494.85 g/mol
LogP11.30
Rot. Bonds18

About (14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol

(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol (PubChem CID 88794076) has the molecular formula C35H58O and a molecular weight of 494.85 g/mol. Its IUPAC name is (14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol.

Molecular Properties

Compound Name(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
PubChem CID88794076
Molecular FormulaC35H58O
Molecular Weight494.85 g/mol
Exact Mass494.45
IUPAC Name(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
SMILESCC(C)=CCCC(C)=CCCC(C)=CC(O)C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C35H58O/c1-28(2)15-10-17-30(5)19-12-20-32(7)21-13-23-33(8)25-26-35(36)27-34(9)24-14-22-31(6)18-11-16-29(3)4/h15-16,19,21-22,25,27,35-36H,10-14,17-18,20,23-24,26H2,1-9H3/b30-19+,31-22?,32-21+,33-25+,34-27?
InChIKeyDOHHQHDOFRYWCE-RCDNBHTCSA-N
XLogP11.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.85
LogP ≤ 511.30
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 (14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol?
The IUPAC name of (14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol (CID 88794076) is (14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol.
What is the SMILES notation for (14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol?
The canonical SMILES for (14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol is CC(C)=CCCC(C)=CCCC(C)=CC(O)C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol?
The InChIKey is DOHHQHDOFRYWCE-RCDNBHTCSA-N. The full InChI is InChI=1S/C35H58O/c1-28(2)15-10-17-30(5)19-12-20-32(7)21-13-23-33(8)25-26-35(36)27-34(9)24-14-22-31(6)18-11-16-29(3)4/h15-16,19,21-22,25,27,35-36H,10-14,17-18,20,23-24,26H2,1-9H3/b30-19+,31-22?,32-21+,33-25+,34-27?.
What are the key properties of (14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol?
(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol has a molecular weight of 494.85 g/mol, XLogP of 11.30, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol is sourced from PubChem (CID 88794076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).