methyl (3-methyl-2-methylidenebutyl) carbonate

C8H14O3 — CID 15026489

IUPACmethyl (3-methyl-2-methylidenebutyl) carbonate
SMILESC=C(COC(=O)OC)C(C)C
InChIInChI=1S/C8H14O3/c1-6(2)7(3)5-11-8(9)10-4/h6H,3,5H2,1-2,4H3
InChIKeyPVWQHXJTPSUFHH-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.98
Rot. Bonds3

About methyl (3-methyl-2-methylidenebutyl) carbonate

methyl (3-methyl-2-methylidenebutyl) carbonate (PubChem CID 15026489) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl (3-methyl-2-methylidenebutyl) carbonate.

Molecular Properties

Compound Namemethyl (3-methyl-2-methylidenebutyl) carbonate
PubChem CID15026489
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namemethyl (3-methyl-2-methylidenebutyl) carbonate
SMILESC=C(COC(=O)OC)C(C)C
InChIInChI=1S/C8H14O3/c1-6(2)7(3)5-11-8(9)10-4/h6H,3,5H2,1-2,4H3
InChIKeyPVWQHXJTPSUFHH-UHFFFAOYSA-N
XLogP1.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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'}

Analyze methyl (3-methyl-2-methylidenebutyl) carbonate 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

2-(methoxymethoxy)prop-2-enyl methyl carbonate
CID 10702414
propan-2-yl 2-methoxycarbonyloxyacetate
CID 139642714
(2-methoxy-2-oxoethyl) 2-methylpropanoate
CID 18740014
methyl 2-(3-methoxyprop-1-en-2-ylamino)propanoate
CID 166967471
methyl 2-methylpropanoate;titanium
CID 174633551
hexakis(2-hydroxypropyl methyl carbonate);methane;hexakis(yttrium)
CID 157481977
7-methoxycarbonyloxyheptyl methyl carbonate
CID 162779746
6-methoxycarbonyloxyhexyl methyl carbonate
CID 20656357
diethyl carbonate;dimethyl carbonate;ethyl methyl carbonate
CID 87546918
CID 175269376
CID 175269376
ethanol;ethyl methyl carbonate
CID 161101393
methyl 3-methyl-2-methylidenebutanoate
CID 534902

Frequently Asked Questions

What is the IUPAC name of methyl (3-methyl-2-methylidenebutyl) carbonate?
The IUPAC name of methyl (3-methyl-2-methylidenebutyl) carbonate (CID 15026489) is methyl (3-methyl-2-methylidenebutyl) carbonate.
What is the SMILES notation for methyl (3-methyl-2-methylidenebutyl) carbonate?
The canonical SMILES for methyl (3-methyl-2-methylidenebutyl) carbonate is C=C(COC(=O)OC)C(C)C.
What is the InChIKey of methyl (3-methyl-2-methylidenebutyl) carbonate?
The InChIKey is PVWQHXJTPSUFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-6(2)7(3)5-11-8(9)10-4/h6H,3,5H2,1-2,4H3.
What are the key properties of methyl (3-methyl-2-methylidenebutyl) carbonate?
methyl (3-methyl-2-methylidenebutyl) carbonate has a molecular weight of 158.20 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3-methyl-2-methylidenebutyl) carbonate is sourced from PubChem (CID 15026489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).