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

C45H82O5 — CID 6438768

IUPAC(2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,34-pentaene-1,19,23,27,31-pentol
SMILESCC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C45H82O5/c1-37(2)19-14-28-42(7,47)30-16-32-44(9,49)34-18-35-45(10,50)33-17-31-43(8,48)29-15-26-40(5)24-12-22-38(3)20-11-21-39(4)23-13-25-41(6)27-36-46/h19-20,23-24,27,46-50H,11-18,21-22,25-26,28-36H2,1-10H3/b38-20+,39-23+,40-24+,41-27+
InChIKeyDVYSZUSSOIXHOF-VNEVDCACSA-N
MW703.15 g/mol
LogP11.54
Rot. Bonds29

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

(2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,34-pentaene-1,19,23,27,31-pentol (PubChem CID 6438768) has the molecular formula C45H82O5 and a molecular weight of 703.15 g/mol. Its IUPAC name is (2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,34-pentaene-1,19,23,27,31-pentol.

Molecular Properties

Compound Name(2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,34-pentaene-1,19,23,27,31-pentol
PubChem CID6438768
Molecular FormulaC45H82O5
Molecular Weight703.15 g/mol
Exact Mass702.62
IUPAC Name(2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,34-pentaene-1,19,23,27,31-pentol
SMILESCC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C45H82O5/c1-37(2)19-14-28-42(7,47)30-16-32-44(9,49)34-18-35-45(10,50)33-17-31-43(8,48)29-15-26-40(5)24-12-22-38(3)20-11-21-39(4)23-13-25-41(6)27-36-46/h19-20,23-24,27,46-50H,11-18,21-22,25-26,28-36H2,1-10H3/b38-20+,39-23+,40-24+,41-27+
InChIKeyDVYSZUSSOIXHOF-VNEVDCACSA-N
XLogP11.54
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds29
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.15
LogP ≤ 511.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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-2,6,10,14,34-pentaene-1,19,23,27,31-pentol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,34-pentaene-1,19,23,27,31-pentol?
The IUPAC name of (2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,34-pentaene-1,19,23,27,31-pentol (CID 6438768) is (2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,34-pentaene-1,19,23,27,31-pentol.
What is the SMILES notation for (2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,34-pentaene-1,19,23,27,31-pentol?
The canonical SMILES for (2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,34-pentaene-1,19,23,27,31-pentol is CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO.
What is the InChIKey of (2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,34-pentaene-1,19,23,27,31-pentol?
The InChIKey is DVYSZUSSOIXHOF-VNEVDCACSA-N. The full InChI is InChI=1S/C45H82O5/c1-37(2)19-14-28-42(7,47)30-16-32-44(9,49)34-18-35-45(10,50)33-17-31-43(8,48)29-15-26-40(5)24-12-22-38(3)20-11-21-39(4)23-13-25-41(6)27-36-46/h19-20,23-24,27,46-50H,11-18,21-22,25-26,28-36H2,1-10H3/b38-20+,39-23+,40-24+,41-27+.
What are the key properties of (2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,34-pentaene-1,19,23,27,31-pentol?
(2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,34-pentaene-1,19,23,27,31-pentol has a molecular weight of 703.15 g/mol, XLogP of 11.54, 29 rotatable bonds, 5 hydrogen bond donors, and 5 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-2,6,10,14,34-pentaene-1,19,23,27,31-pentol is sourced from PubChem (CID 6438768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).