bis(3-methylpent-1-en-3-yl) carbonate

C13H22O3 — CID 174555873

IUPACbis(3-methylpent-1-en-3-yl) carbonate
SMILESC=CC(C)(CC)OC(=O)OC(C)(C=C)CC
InChIInChI=1S/C13H22O3/c1-7-12(5,8-2)15-11(14)16-13(6,9-3)10-4/h7,9H,1,3,8,10H2,2,4-6H3
InChIKeyBYQPJBZKUGUNNO-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.85
Rot. Bonds6

About bis(3-methylpent-1-en-3-yl) carbonate

bis(3-methylpent-1-en-3-yl) carbonate (PubChem CID 174555873) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is bis(3-methylpent-1-en-3-yl) carbonate.

Molecular Properties

Compound Namebis(3-methylpent-1-en-3-yl) carbonate
PubChem CID174555873
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Namebis(3-methylpent-1-en-3-yl) carbonate
SMILESC=CC(C)(CC)OC(=O)OC(C)(C=C)CC
InChIInChI=1S/C13H22O3/c1-7-12(5,8-2)15-11(14)16-13(6,9-3)10-4/h7,9H,1,3,8,10H2,2,4-6H3
InChIKeyBYQPJBZKUGUNNO-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.85
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

3-ethylpent-1-en-3-yl prop-2-enoate
CID 135009193
3-ethyl-4-methyl-3-propan-2-ylpent-1-ene
CID 141443775
3-ethylpent-1-en-3-yl propan-2-yl carbonate
CID 139638690
3,6-dimethylhept-1-en-3-yl acetate
CID 154263841
2,3,3-trimethylpentan-2-yl prop-2-enoate
CID 129167601
2,2-dimethylbutane;tris(prop-2-enoic acid)
CID 86744534
(3,7-dimethyl-6-oxoocta-1,7-dien-3-yl) acetate
CID 78065069
2-methoxybutan-2-yl penta-2,4-dienoate
CID 57183195
2-[(2-methyl-2-prop-2-enoyloxybut-3-enyl)amino]propan-2-yl prop-2-enoate
CID 146516075
4,4-dimethylhex-5-en-3-one
CID 10986231
bis(2-ethoxypropan-2-yl) carbonate
CID 87247770
2-methylbut-3-en-2-yl (2S)-2-aminobutanoate
CID 102467001

Frequently Asked Questions

What is the IUPAC name of bis(3-methylpent-1-en-3-yl) carbonate?
The IUPAC name of bis(3-methylpent-1-en-3-yl) carbonate (CID 174555873) is bis(3-methylpent-1-en-3-yl) carbonate.
What is the SMILES notation for bis(3-methylpent-1-en-3-yl) carbonate?
The canonical SMILES for bis(3-methylpent-1-en-3-yl) carbonate is C=CC(C)(CC)OC(=O)OC(C)(C=C)CC.
What is the InChIKey of bis(3-methylpent-1-en-3-yl) carbonate?
The InChIKey is BYQPJBZKUGUNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-7-12(5,8-2)15-11(14)16-13(6,9-3)10-4/h7,9H,1,3,8,10H2,2,4-6H3.
What are the key properties of bis(3-methylpent-1-en-3-yl) carbonate?
bis(3-methylpent-1-en-3-yl) carbonate has a molecular weight of 226.32 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylpent-1-en-3-yl) carbonate is sourced from PubChem (CID 174555873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).