2-methylpropyl oxolan-2-yl carbonate

C9H16O4 — CID 118596444

IUPAC2-methylpropyl oxolan-2-yl carbonate
SMILESCC(C)COC(=O)OC1CCCO1
InChIInChI=1S/C9H16O4/c1-7(2)6-12-9(10)13-8-4-3-5-11-8/h7-8H,3-6H2,1-2H3
InChIKeyMFZRNLOIPYMOGV-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.93
Rot. Bonds3

About 2-methylpropyl oxolan-2-yl carbonate

2-methylpropyl oxolan-2-yl carbonate (PubChem CID 118596444) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-methylpropyl oxolan-2-yl carbonate.

Molecular Properties

Compound Name2-methylpropyl oxolan-2-yl carbonate
PubChem CID118596444
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-methylpropyl oxolan-2-yl carbonate
SMILESCC(C)COC(=O)OC1CCCO1
InChIInChI=1S/C9H16O4/c1-7(2)6-12-9(10)13-8-4-3-5-11-8/h7-8H,3-6H2,1-2H3
InChIKeyMFZRNLOIPYMOGV-UHFFFAOYSA-N
XLogP1.93
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxolan-2-yloxy)propan-2-ol
CID 172822303
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022
4-O-(2-methylpropyl) 1-O-(oxolan-2-ylmethyl) (E)-but-2-enedioate
CID 91695848
2-methylpropyl 2-(oxolan-2-ylmethoxy)acetate
CID 91155990
bis(oxolan-2-yl) (E)-but-2-enedioate
CID 70212564
(2,6-dimethylcyclohexyl) oxan-2-yl carbonate
CID 173476655
oxan-2-yl 2-tert-butylpentanoate
CID 123458101
[3-(3-methylbutoxycarbonyloxy)cyclohexyl] 2-methylpropyl carbonate
CID 23065867
methyl (2S)-2-amino-3-(oxan-2-yloxy)propanoate;hydrochloride
CID 91978788
2-(oxan-2-yloxy)propanoic acid
CID 542280
ethyl 2-methylidene-3-(oxolan-2-ylperoxy)butanoate
CID 10242942

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl oxolan-2-yl carbonate?
The IUPAC name of 2-methylpropyl oxolan-2-yl carbonate (CID 118596444) is 2-methylpropyl oxolan-2-yl carbonate.
What is the SMILES notation for 2-methylpropyl oxolan-2-yl carbonate?
The canonical SMILES for 2-methylpropyl oxolan-2-yl carbonate is CC(C)COC(=O)OC1CCCO1.
What is the InChIKey of 2-methylpropyl oxolan-2-yl carbonate?
The InChIKey is MFZRNLOIPYMOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-7(2)6-12-9(10)13-8-4-3-5-11-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-methylpropyl oxolan-2-yl carbonate?
2-methylpropyl oxolan-2-yl carbonate has a molecular weight of 188.22 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl oxolan-2-yl carbonate is sourced from PubChem (CID 118596444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).