methyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate

C15H24O4 — CID 539518

IUPACmethyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate
SMILESC=C1CC(C2COC(C)(C)O2)C(C(=O)OC)C1(C)C
InChIInChI=1S/C15H24O4/c1-9-7-10(11-8-18-15(4,5)19-11)12(13(16)17-6)14(9,2)3/h10-12H,1,7-8H2,2-6H3
InChIKeyDWXLARUJZBYPPY-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.53
Rot. Bonds2

About methyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate

methyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate (PubChem CID 539518) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is methyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate
PubChem CID539518
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namemethyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate
SMILESC=C1CC(C2COC(C)(C)O2)C(C(=O)OC)C1(C)C
InChIInChI=1S/C15H24O4/c1-9-7-10(11-8-18-15(4,5)19-11)12(13(16)17-6)14(9,2)3/h10-12H,1,7-8H2,2-6H3
InChIKeyDWXLARUJZBYPPY-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methylidenecyclopentane-1-carboxylate
CID 568077
Cyclopentanecarboxylic acid, 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-isopropylidene-, methyl ester
CID 571958
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
(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
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
2-(Carboxymethyl)-5-[2-(2,2-dimethylbutanoyloxy)-1-hydroxyethyl]-3-prop-1-en-2-ylcyclopentane-1-carboxylic acid
CID 58711399

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate?
The IUPAC name of methyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate (CID 539518) is methyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate.
What is the SMILES notation for methyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate?
The canonical SMILES for methyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate is C=C1CC(C2COC(C)(C)O2)C(C(=O)OC)C1(C)C.
What is the InChIKey of methyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate?
The InChIKey is DWXLARUJZBYPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-9-7-10(11-8-18-15(4,5)19-11)12(13(16)17-6)14(9,2)3/h10-12H,1,7-8H2,2-6H3.
What are the key properties of methyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate?
methyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate has a molecular weight of 268.35 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate is sourced from PubChem (CID 539518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).