31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacont-2-ene

C41H82O — CID 163410346

IUPAC31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacont-2-ene
SMILESCOC(C)(C)CCCC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)CCC=C(C)C
InChIInChI=1S/C41H82O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h20,35-40H,12-19,21-33H2,1-11H3
InChIKeyOQIWFMZZZPKRBP-UHFFFAOYSA-N
MW591.11 g/mol
LogP14.39
Rot. Bonds29

About 31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacont-2-ene

31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacont-2-ene (PubChem CID 163410346) has the molecular formula C41H82O and a molecular weight of 591.11 g/mol. Its IUPAC name is 31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacont-2-ene.

Molecular Properties

Compound Name31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacont-2-ene
PubChem CID163410346
Molecular FormulaC41H82O
Molecular Weight591.11 g/mol
Exact Mass590.64
IUPAC Name31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacont-2-ene
SMILESCOC(C)(C)CCCC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)CCC=C(C)C
InChIInChI=1S/C41H82O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h20,35-40H,12-19,21-33H2,1-11H3
InChIKeyOQIWFMZZZPKRBP-UHFFFAOYSA-N
XLogP14.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds29
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.11
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Epoxycembrene A
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10-Methoxy-1,5,10-trimethyl-1,5-cyclododecadiene
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(2R,3R)-2-[(3R)-3,8-dimethyl-4-methylidenenon-7-enyl]-2-methyl-3-[(3E,7R,11S)-4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl]oxirane
CID 163005229
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(2R,3R)-2-[(3R)-3,8-dimethyl-4-methylidenenon-7-enyl]-2-methyl-3-[(3E,7E,11S)-4,8,11,12-tetramethyltrideca-3,7,12-trienyl]oxirane
CID 163028274
(2S,3R)-2-methyl-3-[(3E,7R,11S)-4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane
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(6~{R},10~{S},14~{R},19~{R},23~{S},24~{E},27~{S},28~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol
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Frequently Asked Questions

What is the IUPAC name of 31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacont-2-ene?
The IUPAC name of 31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacont-2-ene (CID 163410346) is 31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacont-2-ene.
What is the SMILES notation for 31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacont-2-ene?
The canonical SMILES for 31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacont-2-ene is COC(C)(C)CCCC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)CCC=C(C)C.
What is the InChIKey of 31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacont-2-ene?
The InChIKey is OQIWFMZZZPKRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H82O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h20,35-40H,12-19,21-33H2,1-11H3.
What are the key properties of 31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacont-2-ene?
31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacont-2-ene has a molecular weight of 591.11 g/mol, XLogP of 14.39, 29 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacont-2-ene is sourced from PubChem (CID 163410346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).