(23Z)-32-methyl-1-oxacyclotritriacont-23-en-2-one

C33H62O2 — CID 171118973

IUPAC(23Z)-32-methyl-1-oxacyclotritriacont-23-en-2-one
SMILESCC1CCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCCC(=O)OC1
InChIInChI=1S/C33H62O2/c1-32-29-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-33(34)35-31-32/h13,15,32H,2-12,14,16-31H2,1H3/b15-13-
InChIKeyYANIUOCHWKZHLX-SQFISAMPSA-N
MW490.86 g/mol
LogP11.27
Rot. Bonds

About (23Z)-32-methyl-1-oxacyclotritriacont-23-en-2-one

(23Z)-32-methyl-1-oxacyclotritriacont-23-en-2-one (PubChem CID 171118973) has the molecular formula C33H62O2 and a molecular weight of 490.86 g/mol. Its IUPAC name is (23Z)-32-methyl-1-oxacyclotritriacont-23-en-2-one.

Molecular Properties

Compound Name(23Z)-32-methyl-1-oxacyclotritriacont-23-en-2-one
PubChem CID171118973
Molecular FormulaC33H62O2
Molecular Weight490.86 g/mol
Exact Mass490.47
IUPAC Name(23Z)-32-methyl-1-oxacyclotritriacont-23-en-2-one
SMILESCC1CCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCCC(=O)OC1
InChIInChI=1S/C33H62O2/c1-32-29-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-33(34)35-31-32/h13,15,32H,2-12,14,16-31H2,1H3/b15-13-
InChIKeyYANIUOCHWKZHLX-SQFISAMPSA-N
XLogP11.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.86
LogP ≤ 511.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

35-methyl-1-oxacyclohexatriacont-28-en-2-one
CID 154573541
(25Z)-32-methyl-1-oxacyclotritriacont-25-en-2-one
CID 171118974
(6S)-6-methyloxepan-2-one
CID 14866717
(10Z)-13-methyl-1-oxacycloheptadec-10-en-2-one
CID 139804341
(12E)-16-methyl-1-oxacyclooctadec-12-en-2-one
CID 166881836
14-methyl-1-oxacyclopentadec-12-en-2-one
CID 174998559
13-methyl-1-oxacyclopentadec-10-en-2-one
CID 54131551
(13R)-9,9-difluoro-13-methyl-oxacyclotetradecan-2-one
CID 132556996
11,25,39-trimethyl-1,15,29-trioxacyclodotetracontane-2,16,30-trione
CID 18738133
(6Z)-14-methyl-1-oxacyclotetradec-6-en-2-one
CID 10857106
(10Z)-1-oxacycloheptadec-10-en-2-one
CID 5355293
(17E)-1,7-dioxacycloheptacos-17-ene-8,27-dione
CID 71658007

Frequently Asked Questions

What is the IUPAC name of (23Z)-32-methyl-1-oxacyclotritriacont-23-en-2-one?
The IUPAC name of (23Z)-32-methyl-1-oxacyclotritriacont-23-en-2-one (CID 171118973) is (23Z)-32-methyl-1-oxacyclotritriacont-23-en-2-one.
What is the SMILES notation for (23Z)-32-methyl-1-oxacyclotritriacont-23-en-2-one?
The canonical SMILES for (23Z)-32-methyl-1-oxacyclotritriacont-23-en-2-one is CC1CCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCCC(=O)OC1.
What is the InChIKey of (23Z)-32-methyl-1-oxacyclotritriacont-23-en-2-one?
The InChIKey is YANIUOCHWKZHLX-SQFISAMPSA-N. The full InChI is InChI=1S/C33H62O2/c1-32-29-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-33(34)35-31-32/h13,15,32H,2-12,14,16-31H2,1H3/b15-13-.
What are the key properties of (23Z)-32-methyl-1-oxacyclotritriacont-23-en-2-one?
(23Z)-32-methyl-1-oxacyclotritriacont-23-en-2-one has a molecular weight of 490.86 g/mol, XLogP of 11.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (23Z)-32-methyl-1-oxacyclotritriacont-23-en-2-one is sourced from PubChem (CID 171118973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).