1-O-(1-ethylcyclopentyl) 4-O-propyl 2-methylidenebutanedioate

C15H24O4 — CID 89113985

IUPAC1-O-(1-ethylcyclopentyl) 4-O-propyl 2-methylidenebutanedioate
SMILESC=C(CC(=O)OCCC)C(=O)OC1(CC)CCCC1
InChIInChI=1S/C15H24O4/c1-4-10-18-13(16)11-12(3)14(17)19-15(5-2)8-6-7-9-15/h3-11H2,1-2H3
InChIKeyIOCRRISQRVMJJF-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.15
Rot. Bonds7

About 1-O-(1-ethylcyclopentyl) 4-O-propyl 2-methylidenebutanedioate

1-O-(1-ethylcyclopentyl) 4-O-propyl 2-methylidenebutanedioate (PubChem CID 89113985) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-O-(1-ethylcyclopentyl) 4-O-propyl 2-methylidenebutanedioate.

Molecular Properties

Compound Name1-O-(1-ethylcyclopentyl) 4-O-propyl 2-methylidenebutanedioate
PubChem CID89113985
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name1-O-(1-ethylcyclopentyl) 4-O-propyl 2-methylidenebutanedioate
SMILESC=C(CC(=O)OCCC)C(=O)OC1(CC)CCCC1
InChIInChI=1S/C15H24O4/c1-4-10-18-13(16)11-12(3)14(17)19-15(5-2)8-6-7-9-15/h3-11H2,1-2H3
InChIKeyIOCRRISQRVMJJF-UHFFFAOYSA-N
XLogP3.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-O-(1-ethylcyclopentyl) 4-O-(6-methylnaphthalen-2-yl) 2-methylidenebutanedioate
CID 89113997
(1-ethylcyclopentyl) 2-methylidenebut-3-enoate
CID 148827736
1-O-(1-ethylcyclopentyl) 4-O-(7-methylnaphthalen-2-yl) 2-methylidenebutanedioate
CID 89113998
(1-ethylcyclopentyl) methyl carbonate
CID 59539839
3-[2-(1-ethylcyclopentyl)oxycarbonylprop-2-enoxy]-1,1-difluoropropane-1-sulfonic acid
CID 89433588
(1-ethylcyclopentyl) pentanoate
CID 123172403
dipentyl 2-methylidenebutanedioate
CID 18618577
3-[2-(1-ethylcyclooctyl)oxycarbonylprop-2-enoxy]-1,1-difluoropropane-1-sulfonic acid
CID 89433596
(1-ethylcyclohexyl) methyl carbonate
CID 59539840
dioctacosyl 2-methylidenebutanedioate
CID 175314352
4-O-hexyl 1-O-octyl 2-methylidenebutanedioate
CID 174828394
dinonyl 2-methylidenebutanedioate
CID 18618584

Frequently Asked Questions

What is the IUPAC name of 1-O-(1-ethylcyclopentyl) 4-O-propyl 2-methylidenebutanedioate?
The IUPAC name of 1-O-(1-ethylcyclopentyl) 4-O-propyl 2-methylidenebutanedioate (CID 89113985) is 1-O-(1-ethylcyclopentyl) 4-O-propyl 2-methylidenebutanedioate.
What is the SMILES notation for 1-O-(1-ethylcyclopentyl) 4-O-propyl 2-methylidenebutanedioate?
The canonical SMILES for 1-O-(1-ethylcyclopentyl) 4-O-propyl 2-methylidenebutanedioate is C=C(CC(=O)OCCC)C(=O)OC1(CC)CCCC1.
What is the InChIKey of 1-O-(1-ethylcyclopentyl) 4-O-propyl 2-methylidenebutanedioate?
The InChIKey is IOCRRISQRVMJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-4-10-18-13(16)11-12(3)14(17)19-15(5-2)8-6-7-9-15/h3-11H2,1-2H3.
What are the key properties of 1-O-(1-ethylcyclopentyl) 4-O-propyl 2-methylidenebutanedioate?
1-O-(1-ethylcyclopentyl) 4-O-propyl 2-methylidenebutanedioate has a molecular weight of 268.35 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(1-ethylcyclopentyl) 4-O-propyl 2-methylidenebutanedioate is sourced from PubChem (CID 89113985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).