methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-propan-2-ylidenecyclopentane-1-carboxylate

C15H24O4 — CID 571958

IUPACmethyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-propan-2-ylidenecyclopentane-1-carboxylate
SMILESCOC(=O)C1CC(=C(C)C)CC1C1COC(C)(C)O1
InChIInChI=1S/C15H24O4/c1-9(2)10-6-11(12(7-10)14(16)17-5)13-8-18-15(3,4)19-13/h11-13H,6-8H2,1-5H3
InChIKeyDPLXSWIXYHIWNP-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.67
Rot. Bonds2

About methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-propan-2-ylidenecyclopentane-1-carboxylate

methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-propan-2-ylidenecyclopentane-1-carboxylate (PubChem CID 571958) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-propan-2-ylidenecyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-propan-2-ylidenecyclopentane-1-carboxylate
PubChem CID571958
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namemethyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-propan-2-ylidenecyclopentane-1-carboxylate
SMILESCOC(=O)C1CC(=C(C)C)CC1C1COC(C)(C)O1
InChIInChI=1S/C15H24O4/c1-9(2)10-6-11(12(7-10)14(16)17-5)13-8-18-15(3,4)19-13/h11-13H,6-8H2,1-5H3
InChIKeyDPLXSWIXYHIWNP-UHFFFAOYSA-N
XLogP2.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.67
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

Methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylenecyclopentanecarboxylate
CID 538045
Cyclopentanecarboxylic acid, 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylene-, methyl ester, trans-S,S,S-
CID 59039565
cis-methyl (1S,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylidenecyclopentane-1-carboxylate
CID 134900634
Methyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-methylenecyclopentanecarboxylate
CID 539518
Methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methylidenecyclopentane-1-carboxylate
CID 568077
methyl (1R,2R,3R,4S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11747115
trans-methyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylidenecyclopentane-1-carboxylate
CID 13511428
trans-methyl (1S,2S)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylidenecyclopentane-1-carboxylate
CID 22212853
cis-methyl (1R,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylidenecyclopentane-1-carboxylate
CID 57172771
cis-methyl (1R,2S)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylidenecyclopentane-1-carboxylate
CID 70029966
trans-methyl (1R,2R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylidenecyclopentane-1-carboxylate
CID 142059682
methyl (1S)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylidenecyclopentane-1-carboxylate
CID 142059735

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-propan-2-ylidenecyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-propan-2-ylidenecyclopentane-1-carboxylate (CID 571958) is methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-propan-2-ylidenecyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-propan-2-ylidenecyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-propan-2-ylidenecyclopentane-1-carboxylate is COC(=O)C1CC(=C(C)C)CC1C1COC(C)(C)O1.
What is the InChIKey of methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-propan-2-ylidenecyclopentane-1-carboxylate?
The InChIKey is DPLXSWIXYHIWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-9(2)10-6-11(12(7-10)14(16)17-5)13-8-18-15(3,4)19-13/h11-13H,6-8H2,1-5H3.
What are the key properties of methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-propan-2-ylidenecyclopentane-1-carboxylate?
methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-propan-2-ylidenecyclopentane-1-carboxylate has a molecular weight of 268.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-propan-2-ylidenecyclopentane-1-carboxylate is sourced from PubChem (CID 571958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).