(1-methylcyclopropanecarbonyl) 1-methylcyclopropane-1-carboxylate

C10H14O3 — CID 150043485

IUPAC(1-methylcyclopropanecarbonyl) 1-methylcyclopropane-1-carboxylate
SMILESCC1(C(=O)OC(=O)C2(C)CC2)CC1
InChIInChI=1S/C10H14O3/c1-9(3-4-9)7(11)13-8(12)10(2)5-6-10/h3-6H2,1-2H3
InChIKeyDJTYQOAKVZMTIX-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.66
Rot. Bonds2

About (1-methylcyclopropanecarbonyl) 1-methylcyclopropane-1-carboxylate

(1-methylcyclopropanecarbonyl) 1-methylcyclopropane-1-carboxylate (PubChem CID 150043485) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (1-methylcyclopropanecarbonyl) 1-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name(1-methylcyclopropanecarbonyl) 1-methylcyclopropane-1-carboxylate
PubChem CID150043485
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(1-methylcyclopropanecarbonyl) 1-methylcyclopropane-1-carboxylate
SMILESCC1(C(=O)OC(=O)C2(C)CC2)CC1
InChIInChI=1S/C10H14O3/c1-9(3-4-9)7(11)13-8(12)10(2)5-6-10/h3-6H2,1-2H3
InChIKeyDJTYQOAKVZMTIX-UHFFFAOYSA-N
XLogP1.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-methylcyclopentane-1-carboperoxoic acid
CID 156838761
amino 1-methylcyclobutane-1-carboxylate
CID 118650496
2-sulfanylidenepropyl 1-methylcyclopentane-1-carboxylate
CID 171620099
prop-1-en-2-yl N-(1-methylcyclopropanecarbonyl)carbamate
CID 90445232
2-methylprop-2-enyl 1-methylcyclohexane-1-carboxylate
CID 171620113
acetic acid;ruthenium
CID 175502908
methyl 4-iodo-1-methylcyclohexane-1-carboxylate
CID 121364070
ethyl 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate
CID 171935283
ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane
CID 142438427
oxiran-2-ylmethyl 1-methylcyclopropane-1-carboxylate
CID 110189647
2-hydroxyethyl 1-methylcyclohexane-1-carboxylate
CID 165353506
2-[(E)-1-(1-methylcyclopropyl)ethylideneamino]oxyacetic acid
CID 167352426

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropanecarbonyl) 1-methylcyclopropane-1-carboxylate?
The IUPAC name of (1-methylcyclopropanecarbonyl) 1-methylcyclopropane-1-carboxylate (CID 150043485) is (1-methylcyclopropanecarbonyl) 1-methylcyclopropane-1-carboxylate.
What is the SMILES notation for (1-methylcyclopropanecarbonyl) 1-methylcyclopropane-1-carboxylate?
The canonical SMILES for (1-methylcyclopropanecarbonyl) 1-methylcyclopropane-1-carboxylate is CC1(C(=O)OC(=O)C2(C)CC2)CC1.
What is the InChIKey of (1-methylcyclopropanecarbonyl) 1-methylcyclopropane-1-carboxylate?
The InChIKey is DJTYQOAKVZMTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-9(3-4-9)7(11)13-8(12)10(2)5-6-10/h3-6H2,1-2H3.
What are the key properties of (1-methylcyclopropanecarbonyl) 1-methylcyclopropane-1-carboxylate?
(1-methylcyclopropanecarbonyl) 1-methylcyclopropane-1-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropanecarbonyl) 1-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 150043485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).