ethyl (1S)-1-(1,3-dioxolan-2-ylmethyl)-2-methylidenecyclopentane-1-carboxylate

C13H20O4 — CID 132541146

IUPACethyl (1S)-1-(1,3-dioxolan-2-ylmethyl)-2-methylidenecyclopentane-1-carboxylate
SMILESC=C1CCC[C@@]1(CC1OCCO1)C(=O)OCC
InChIInChI=1S/C13H20O4/c1-3-15-12(14)13(6-4-5-10(13)2)9-11-16-7-8-17-11/h11H,2-9H2,1H3/t13-/m0/s1
InChIKeyRMFUFPVAHYMBTO-ZDUSSCGKSA-N
MW240.30 g/mol
LogP2.04
Rot. Bonds4

About ethyl (1S)-1-(1,3-dioxolan-2-ylmethyl)-2-methylidenecyclopentane-1-carboxylate

ethyl (1S)-1-(1,3-dioxolan-2-ylmethyl)-2-methylidenecyclopentane-1-carboxylate (PubChem CID 132541146) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is ethyl (1S)-1-(1,3-dioxolan-2-ylmethyl)-2-methylidenecyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S)-1-(1,3-dioxolan-2-ylmethyl)-2-methylidenecyclopentane-1-carboxylate
PubChem CID132541146
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Nameethyl (1S)-1-(1,3-dioxolan-2-ylmethyl)-2-methylidenecyclopentane-1-carboxylate
SMILESC=C1CCC[C@@]1(CC1OCCO1)C(=O)OCC
InChIInChI=1S/C13H20O4/c1-3-15-12(14)13(6-4-5-10(13)2)9-11-16-7-8-17-11/h11H,2-9H2,1H3/t13-/m0/s1
InChIKeyRMFUFPVAHYMBTO-ZDUSSCGKSA-N
XLogP2.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid
CID 56595626
methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 56595627
Methyl 2-(1-methoxyethoxymethyl)-1-methyl-3-methylidenecyclopentane-1-carboxylate
CID 69546448
(3S,5S)-3-butyl-5-hydroxy-3-prop-1-en-2-yloxolan-2-one
CID 70164396
Ethyl 1-(1,3-dioxolan-2-ylmethyl)cyclohex-2-ene-1-carboxylate
CID 11345470
methyl 6-[(3R,5R)-5-ethoxy-3-methyloxolan-3-yl]-3-methylidenehexanoate
CID 21604749
ethyl (1S)-1-(1,3-dioxolan-2-ylmethyl)-2-methylidene-3-oxocyclopentane-1-carboxylate
CID 132541147

Frequently Asked Questions

What is the IUPAC name of ethyl (1S)-1-(1,3-dioxolan-2-ylmethyl)-2-methylidenecyclopentane-1-carboxylate?
The IUPAC name of ethyl (1S)-1-(1,3-dioxolan-2-ylmethyl)-2-methylidenecyclopentane-1-carboxylate (CID 132541146) is ethyl (1S)-1-(1,3-dioxolan-2-ylmethyl)-2-methylidenecyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (1S)-1-(1,3-dioxolan-2-ylmethyl)-2-methylidenecyclopentane-1-carboxylate?
The canonical SMILES for ethyl (1S)-1-(1,3-dioxolan-2-ylmethyl)-2-methylidenecyclopentane-1-carboxylate is C=C1CCC[C@@]1(CC1OCCO1)C(=O)OCC.
What is the InChIKey of ethyl (1S)-1-(1,3-dioxolan-2-ylmethyl)-2-methylidenecyclopentane-1-carboxylate?
The InChIKey is RMFUFPVAHYMBTO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20O4/c1-3-15-12(14)13(6-4-5-10(13)2)9-11-16-7-8-17-11/h11H,2-9H2,1H3/t13-/m0/s1.
What are the key properties of ethyl (1S)-1-(1,3-dioxolan-2-ylmethyl)-2-methylidenecyclopentane-1-carboxylate?
ethyl (1S)-1-(1,3-dioxolan-2-ylmethyl)-2-methylidenecyclopentane-1-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S)-1-(1,3-dioxolan-2-ylmethyl)-2-methylidenecyclopentane-1-carboxylate is sourced from PubChem (CID 132541146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).