(2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14-tetraene-1,19,23,27,31,34,35-heptol

C45H84O7 — CID 10628793

IUPAC(2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14-tetraene-1,19,23,27,31,34,35-heptol
SMILESC/C(=C\CO)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC(O)C(C)(C)O
InChIInChI=1S/C45H84O7/c1-36(18-11-19-37(2)21-13-23-39(4)26-35-46)20-12-22-38(3)24-14-27-42(7,49)28-15-29-43(8,50)30-16-31-44(9,51)32-17-33-45(10,52)34-25-40(47)41(5,6)48/h18,21-22,26,40,46-52H,11-17,19-20,23-25,27-35H2,1-10H3/b36-18+,37-21+,38-22+,39-26+
InChIKeyNWNDDBQOCUDCDV-QYOQUFJESA-N
MW737.16 g/mol
LogP9.70
Rot. Bonds30

About (2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14-tetraene-1,19,23,27,31,34,35-heptol

(2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14-tetraene-1,19,23,27,31,34,35-heptol (PubChem CID 10628793) has the molecular formula C45H84O7 and a molecular weight of 737.16 g/mol. Its IUPAC name is (2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14-tetraene-1,19,23,27,31,34,35-heptol.

Molecular Properties

Compound Name(2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14-tetraene-1,19,23,27,31,34,35-heptol
PubChem CID10628793
Molecular FormulaC45H84O7
Molecular Weight737.16 g/mol
Exact Mass736.62
IUPAC Name(2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14-tetraene-1,19,23,27,31,34,35-heptol
SMILESC/C(=C\CO)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC(O)C(C)(C)O
InChIInChI=1S/C45H84O7/c1-36(18-11-19-37(2)21-13-23-39(4)26-35-46)20-12-22-38(3)24-14-27-42(7,49)28-15-29-43(8,50)30-16-31-44(9,51)32-17-33-45(10,52)34-25-40(47)41(5,6)48/h18,21-22,26,40,46-52H,11-17,19-20,23-25,27-35H2,1-10H3/b36-18+,37-21+,38-22+,39-26+
InChIKeyNWNDDBQOCUDCDV-QYOQUFJESA-N
XLogP9.70
TPSA141.61 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds30
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500737.16
LogP ≤ 59.70
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14-tetraene-1,19,23,27,31,34,35-heptol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14-tetraene-1,19,23,27,31,34,35-heptol?
The IUPAC name of (2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14-tetraene-1,19,23,27,31,34,35-heptol (CID 10628793) is (2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14-tetraene-1,19,23,27,31,34,35-heptol.
What is the SMILES notation for (2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14-tetraene-1,19,23,27,31,34,35-heptol?
The canonical SMILES for (2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14-tetraene-1,19,23,27,31,34,35-heptol is C/C(=C\CO)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC(O)C(C)(C)O.
What is the InChIKey of (2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14-tetraene-1,19,23,27,31,34,35-heptol?
The InChIKey is NWNDDBQOCUDCDV-QYOQUFJESA-N. The full InChI is InChI=1S/C45H84O7/c1-36(18-11-19-37(2)21-13-23-39(4)26-35-46)20-12-22-38(3)24-14-27-42(7,49)28-15-29-43(8,50)30-16-31-44(9,51)32-17-33-45(10,52)34-25-40(47)41(5,6)48/h18,21-22,26,40,46-52H,11-17,19-20,23-25,27-35H2,1-10H3/b36-18+,37-21+,38-22+,39-26+.
What are the key properties of (2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14-tetraene-1,19,23,27,31,34,35-heptol?
(2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14-tetraene-1,19,23,27,31,34,35-heptol has a molecular weight of 737.16 g/mol, XLogP of 9.70, 30 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14-tetraene-1,19,23,27,31,34,35-heptol is sourced from PubChem (CID 10628793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).