cyclopropyl 2,2-dimethylpentan-3-yl carbonate

C11H20O3 — CID 58430375

IUPACcyclopropyl 2,2-dimethylpentan-3-yl carbonate
SMILESCCC(OC(=O)OC1CC1)C(C)(C)C
InChIInChI=1S/C11H20O3/c1-5-9(11(2,3)4)14-10(12)13-8-6-7-8/h8-9H,5-7H2,1-4H3
InChIKeyXWNDJYSGKCHRFD-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.13
Rot. Bonds3

About cyclopropyl 2,2-dimethylpentan-3-yl carbonate

cyclopropyl 2,2-dimethylpentan-3-yl carbonate (PubChem CID 58430375) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is cyclopropyl 2,2-dimethylpentan-3-yl carbonate.

Molecular Properties

Compound Namecyclopropyl 2,2-dimethylpentan-3-yl carbonate
PubChem CID58430375
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namecyclopropyl 2,2-dimethylpentan-3-yl carbonate
SMILESCCC(OC(=O)OC1CC1)C(C)(C)C
InChIInChI=1S/C11H20O3/c1-5-9(11(2,3)4)14-10(12)13-8-6-7-8/h8-9H,5-7H2,1-4H3
InChIKeyXWNDJYSGKCHRFD-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-butan-2-yl] cyclopropyl carbonate
CID 173085472
tert-butyl (4-propan-2-yloxycarbonyloxycyclohexyl) carbonate
CID 23066882
cyclopentyl 1-iodopropyl carbonate
CID 19894514
2,2-dimethylpentan-3-yl 3-piperidin-4-ylpropanoate
CID 71063287
cyclopentyl 1-iodobutyl carbonate
CID 86119197
bis[4-(4-propylcyclohexyl)cyclohexyl] carbonate
CID 70479427
bis[4-(2-chloropropan-2-yl)cyclohexyl] carbonate
CID 162752471
CID 172766760
CID 172766760
(4-tert-butylcyclohexyl) hydroxy carbonate;hydron
CID 174417276
cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
CID 23066096
(3S)-3-ethoxy-2,2-dimethylpentane
CID 88893623
3-hydroperoxy-2,2-dimethylpentane
CID 58226349

Frequently Asked Questions

What is the IUPAC name of cyclopropyl 2,2-dimethylpentan-3-yl carbonate?
The IUPAC name of cyclopropyl 2,2-dimethylpentan-3-yl carbonate (CID 58430375) is cyclopropyl 2,2-dimethylpentan-3-yl carbonate.
What is the SMILES notation for cyclopropyl 2,2-dimethylpentan-3-yl carbonate?
The canonical SMILES for cyclopropyl 2,2-dimethylpentan-3-yl carbonate is CCC(OC(=O)OC1CC1)C(C)(C)C.
What is the InChIKey of cyclopropyl 2,2-dimethylpentan-3-yl carbonate?
The InChIKey is XWNDJYSGKCHRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-9(11(2,3)4)14-10(12)13-8-6-7-8/h8-9H,5-7H2,1-4H3.
What are the key properties of cyclopropyl 2,2-dimethylpentan-3-yl carbonate?
cyclopropyl 2,2-dimethylpentan-3-yl carbonate has a molecular weight of 200.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 2,2-dimethylpentan-3-yl carbonate is sourced from PubChem (CID 58430375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).