methyl 2-methoxy-5-(3-oxodec-1-enyl)cyclopentene-1-carboxylate

C18H28O4 — CID 57074906

IUPACmethyl 2-methoxy-5-(3-oxodec-1-enyl)cyclopentene-1-carboxylate
SMILESCCCCCCCC(=O)C=CC1CCC(OC)=C1C(=O)OC
InChIInChI=1S/C18H28O4/c1-4-5-6-7-8-9-15(19)12-10-14-11-13-16(21-2)17(14)18(20)22-3/h10,12,14H,4-9,11,13H2,1-3H3
InChIKeyVQNKJFTVZKCBNT-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.96
Rot. Bonds10

About methyl 2-methoxy-5-(3-oxodec-1-enyl)cyclopentene-1-carboxylate

methyl 2-methoxy-5-(3-oxodec-1-enyl)cyclopentene-1-carboxylate (PubChem CID 57074906) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is methyl 2-methoxy-5-(3-oxodec-1-enyl)cyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-(3-oxodec-1-enyl)cyclopentene-1-carboxylate
PubChem CID57074906
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Namemethyl 2-methoxy-5-(3-oxodec-1-enyl)cyclopentene-1-carboxylate
SMILESCCCCCCCC(=O)C=CC1CCC(OC)=C1C(=O)OC
InChIInChI=1S/C18H28O4/c1-4-5-6-7-8-9-15(19)12-10-14-11-13-16(21-2)17(14)18(20)22-3/h10,12,14H,4-9,11,13H2,1-3H3
InChIKeyVQNKJFTVZKCBNT-UHFFFAOYSA-N
XLogP3.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

MKN-003a
CID 11075054
(-)-Juvabione
CID 86634
1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxo-4-hexenyl)-, methyl ester
CID 557966
dimethyl (3aR,7R,8aS)-7-isopropyl-6-oxo-3a,7,8,8a-tetrahydro-3H-azulene-1,4-dicarboxylate
CID 10447866
Gersemolide
CID 12000066
Sarcostolide G
CID 24970509
Juvabione
CID 442381
(2S)-2-(6-methyl-7-oxooctyl)-2H-furan-5-one
CID 10799173
methyl (3aR,7aR)-2-acetyl-3a,6,7,7a-tetrahydro-1H-indene-4-carboxylate
CID 44419534
methyl (1Z,5E)-4,4,8-trimethyl-7-oxocycloundeca-1,5-diene-1-carboxylate
CID 137656015
methyl (7E)-7-[(2R)-2-octyl-5-oxocyclopent-3-en-1-ylidene]heptanoate
CID 9819074
methyl (4R)-4-[(2S)-6-methyl-4-oxoheptan-2-yl]cyclohexene-1-carboxylate
CID 10923485

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-(3-oxodec-1-enyl)cyclopentene-1-carboxylate?
The IUPAC name of methyl 2-methoxy-5-(3-oxodec-1-enyl)cyclopentene-1-carboxylate (CID 57074906) is methyl 2-methoxy-5-(3-oxodec-1-enyl)cyclopentene-1-carboxylate.
What is the SMILES notation for methyl 2-methoxy-5-(3-oxodec-1-enyl)cyclopentene-1-carboxylate?
The canonical SMILES for methyl 2-methoxy-5-(3-oxodec-1-enyl)cyclopentene-1-carboxylate is CCCCCCCC(=O)C=CC1CCC(OC)=C1C(=O)OC.
What is the InChIKey of methyl 2-methoxy-5-(3-oxodec-1-enyl)cyclopentene-1-carboxylate?
The InChIKey is VQNKJFTVZKCBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4/c1-4-5-6-7-8-9-15(19)12-10-14-11-13-16(21-2)17(14)18(20)22-3/h10,12,14H,4-9,11,13H2,1-3H3.
What are the key properties of methyl 2-methoxy-5-(3-oxodec-1-enyl)cyclopentene-1-carboxylate?
methyl 2-methoxy-5-(3-oxodec-1-enyl)cyclopentene-1-carboxylate has a molecular weight of 308.42 g/mol, XLogP of 3.96, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-(3-oxodec-1-enyl)cyclopentene-1-carboxylate is sourced from PubChem (CID 57074906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).