32-methoxy-3-methylidenedotriacontan-2-one

C34H66O2 — CID 88857828

IUPAC32-methoxy-3-methylidenedotriacontan-2-one
SMILESC=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC)C(C)=O
InChIInChI=1S/C34H66O2/c1-33(34(2)35)31-29-27-25-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-3/h1,4-32H2,2-3H3
InChIKeyCEJOOOXGBILNPS-UHFFFAOYSA-N
MW506.90 g/mol
LogP11.70
Rot. Bonds31

About 32-methoxy-3-methylidenedotriacontan-2-one

32-methoxy-3-methylidenedotriacontan-2-one (PubChem CID 88857828) has the molecular formula C34H66O2 and a molecular weight of 506.90 g/mol. Its IUPAC name is 32-methoxy-3-methylidenedotriacontan-2-one.

Molecular Properties

Compound Name32-methoxy-3-methylidenedotriacontan-2-one
PubChem CID88857828
Molecular FormulaC34H66O2
Molecular Weight506.90 g/mol
Exact Mass506.51
IUPAC Name32-methoxy-3-methylidenedotriacontan-2-one
SMILESC=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC)C(C)=O
InChIInChI=1S/C34H66O2/c1-33(34(2)35)31-29-27-25-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-3/h1,4-32H2,2-3H3
InChIKeyCEJOOOXGBILNPS-UHFFFAOYSA-N
XLogP11.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.90
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 32-methoxy-3-methylidenedotriacontan-2-one?
The IUPAC name of 32-methoxy-3-methylidenedotriacontan-2-one (CID 88857828) is 32-methoxy-3-methylidenedotriacontan-2-one.
What is the SMILES notation for 32-methoxy-3-methylidenedotriacontan-2-one?
The canonical SMILES for 32-methoxy-3-methylidenedotriacontan-2-one is C=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC)C(C)=O.
What is the InChIKey of 32-methoxy-3-methylidenedotriacontan-2-one?
The InChIKey is CEJOOOXGBILNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H66O2/c1-33(34(2)35)31-29-27-25-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-3/h1,4-32H2,2-3H3.
What are the key properties of 32-methoxy-3-methylidenedotriacontan-2-one?
32-methoxy-3-methylidenedotriacontan-2-one has a molecular weight of 506.90 g/mol, XLogP of 11.70, 31 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 32-methoxy-3-methylidenedotriacontan-2-one is sourced from PubChem (CID 88857828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).