(E,20R,24R)-2,6,10,16,20,24,28-heptamethylnonacos-15-en-14-ol

C36H72O — CID 174796441

IUPAC(E,20R,24R)-2,6,10,16,20,24,28-heptamethylnonacos-15-en-14-ol
SMILESC/C(=C\C(O)CCCC(C)CCCC(C)CCCC(C)C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C36H72O/c1-29(2)16-10-18-31(5)20-12-22-33(7)24-14-26-35(9)28-36(37)27-15-25-34(8)23-13-21-32(6)19-11-17-30(3)4/h28-34,36-37H,10-27H2,1-9H3/b35-28+/t31-,32?,33-,34?,36?/m1/s1
InChIKeyNDUJOCWYHRCNQK-XDGLFODESA-N
MW520.97 g/mol
LogP12.17
Rot. Bonds25

About (E,20R,24R)-2,6,10,16,20,24,28-heptamethylnonacos-15-en-14-ol

(E,20R,24R)-2,6,10,16,20,24,28-heptamethylnonacos-15-en-14-ol (PubChem CID 174796441) has the molecular formula C36H72O and a molecular weight of 520.97 g/mol. Its IUPAC name is (E,20R,24R)-2,6,10,16,20,24,28-heptamethylnonacos-15-en-14-ol.

Molecular Properties

Compound Name(E,20R,24R)-2,6,10,16,20,24,28-heptamethylnonacos-15-en-14-ol
PubChem CID174796441
Molecular FormulaC36H72O
Molecular Weight520.97 g/mol
Exact Mass520.56
IUPAC Name(E,20R,24R)-2,6,10,16,20,24,28-heptamethylnonacos-15-en-14-ol
SMILESC/C(=C\C(O)CCCC(C)CCCC(C)CCCC(C)C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C36H72O/c1-29(2)16-10-18-31(5)20-12-22-33(7)24-14-26-35(9)28-36(37)27-15-25-34(8)23-13-21-32(6)19-11-17-30(3)4/h28-34,36-37H,10-27H2,1-9H3/b35-28+/t31-,32?,33-,34?,36?/m1/s1
InChIKeyNDUJOCWYHRCNQK-XDGLFODESA-N
XLogP12.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.97
LogP ≤ 512.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E,20R,24R)-2,6,10,16,20,24,28-heptamethylnonacos-15-en-14-ol with MolForge

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Related Compounds

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CID 25254254
(E)-2,6,10,14-tetramethylpentadec-1-ene-1-thiol
CID 25254401
propane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-ene;yttrium
CID 59410843
(E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol
CID 10638184
(E,7S,11S)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
CID 12905050
(E,7R,11R)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
CID 12905048
CID 160640482
CID 160640482
(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 14035235
(7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 54256190
(E)-3,7,11,15,20,24,28-heptamethylnonacos-2-en-1-ol
CID 174796442
(E)-2,2,5,9,13-pentamethyltetradec-4-ene
CID 58883085

Frequently Asked Questions

What is the IUPAC name of (E,20R,24R)-2,6,10,16,20,24,28-heptamethylnonacos-15-en-14-ol?
The IUPAC name of (E,20R,24R)-2,6,10,16,20,24,28-heptamethylnonacos-15-en-14-ol (CID 174796441) is (E,20R,24R)-2,6,10,16,20,24,28-heptamethylnonacos-15-en-14-ol.
What is the SMILES notation for (E,20R,24R)-2,6,10,16,20,24,28-heptamethylnonacos-15-en-14-ol?
The canonical SMILES for (E,20R,24R)-2,6,10,16,20,24,28-heptamethylnonacos-15-en-14-ol is C/C(=C\C(O)CCCC(C)CCCC(C)CCCC(C)C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.
What is the InChIKey of (E,20R,24R)-2,6,10,16,20,24,28-heptamethylnonacos-15-en-14-ol?
The InChIKey is NDUJOCWYHRCNQK-XDGLFODESA-N. The full InChI is InChI=1S/C36H72O/c1-29(2)16-10-18-31(5)20-12-22-33(7)24-14-26-35(9)28-36(37)27-15-25-34(8)23-13-21-32(6)19-11-17-30(3)4/h28-34,36-37H,10-27H2,1-9H3/b35-28+/t31-,32?,33-,34?,36?/m1/s1.
What are the key properties of (E,20R,24R)-2,6,10,16,20,24,28-heptamethylnonacos-15-en-14-ol?
(E,20R,24R)-2,6,10,16,20,24,28-heptamethylnonacos-15-en-14-ol has a molecular weight of 520.97 g/mol, XLogP of 12.17, 25 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,20R,24R)-2,6,10,16,20,24,28-heptamethylnonacos-15-en-14-ol is sourced from PubChem (CID 174796441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).