2-methylpropyl prop-2-enyl carbonate

C8H14O3 — CID 6420250

IUPAC2-methylpropyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCC(C)C
InChIInChI=1S/C8H14O3/c1-4-5-10-8(9)11-6-7(2)3/h4,7H,1,5-6H2,2-3H3
InChIKeyMMIWMXSWWBQFPO-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.98
Rot. Bonds4

About 2-methylpropyl prop-2-enyl carbonate

2-methylpropyl prop-2-enyl carbonate (PubChem CID 6420250) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-methylpropyl prop-2-enyl carbonate.

Molecular Properties

Compound Name2-methylpropyl prop-2-enyl carbonate
PubChem CID6420250
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-methylpropyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCC(C)C
InChIInChI=1S/C8H14O3/c1-4-5-10-8(9)11-6-7(2)3/h4,7H,1,5-6H2,2-3H3
InChIKeyMMIWMXSWWBQFPO-UHFFFAOYSA-N
XLogP1.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl pent-4-enyl carbonate
CID 91694409
bis(prop-2-enyl) carbonate;ethene
CID 87465968
2-hydroxypropyl 2-methylpropyl carbonate
CID 118462000
2-methylbut-3-en-2-yl 2-methylpropyl carbonate
CID 11217669
2-hydroxybut-3-ynyl prop-2-enyl carbonate
CID 6612771
ethene;2-prop-2-enoxycarbonyloxyethyl prop-2-enyl carbonate
CID 22459483
hydroxy 2-methylpropyl carbonate
CID 140981524
prop-2-enyl 2-aminopropanoate
CID 91515395
2-ethylhexyl prop-2-enyl carbonate
CID 91693070
2-methylpropyl 2-cyanoprop-2-enoate;prop-2-enyl 2-cyanoprop-2-enoate
CID 161002786
2-methylpropoxycarbonyl formate
CID 20708629
2-methylpropyl propan-2-yloxy carbonate
CID 150489292

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl prop-2-enyl carbonate?
The IUPAC name of 2-methylpropyl prop-2-enyl carbonate (CID 6420250) is 2-methylpropyl prop-2-enyl carbonate.
What is the SMILES notation for 2-methylpropyl prop-2-enyl carbonate?
The canonical SMILES for 2-methylpropyl prop-2-enyl carbonate is C=CCOC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl prop-2-enyl carbonate?
The InChIKey is MMIWMXSWWBQFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-4-5-10-8(9)11-6-7(2)3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 2-methylpropyl prop-2-enyl carbonate?
2-methylpropyl prop-2-enyl carbonate has a molecular weight of 158.20 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl prop-2-enyl carbonate is sourced from PubChem (CID 6420250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).