methyl [(Z)-4-(3-methylbut-2-enoxy)but-2-enyl] carbonate

C11H18O4 — CID 101449662

IUPACmethyl [(Z)-4-(3-methylbut-2-enoxy)but-2-enyl] carbonate
SMILESCOC(=O)OC/C=C\COCC=C(C)C
InChIInChI=1S/C11H18O4/c1-10(2)6-9-14-7-4-5-8-15-11(12)13-3/h4-6H,7-9H2,1-3H3/b5-4-
InChIKeyAZJHFLRLRKEDFV-PLNGDYQASA-N
MW214.26 g/mol
LogP2.31
Rot. Bonds6

About methyl [(Z)-4-(3-methylbut-2-enoxy)but-2-enyl] carbonate

methyl [(Z)-4-(3-methylbut-2-enoxy)but-2-enyl] carbonate (PubChem CID 101449662) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl [(Z)-4-(3-methylbut-2-enoxy)but-2-enyl] carbonate.

Molecular Properties

Compound Namemethyl [(Z)-4-(3-methylbut-2-enoxy)but-2-enyl] carbonate
PubChem CID101449662
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl [(Z)-4-(3-methylbut-2-enoxy)but-2-enyl] carbonate
SMILESCOC(=O)OC/C=C\COCC=C(C)C
InChIInChI=1S/C11H18O4/c1-10(2)6-9-14-7-4-5-8-15-11(12)13-3/h4-6H,7-9H2,1-3H3/b5-4-
InChIKeyAZJHFLRLRKEDFV-PLNGDYQASA-N
XLogP2.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-but-2-enoxy-3-methylbut-2-ene
CID 71324581
methyl 2-oxoethyl carbonate
CID 20662885
3-methyl-1-prop-2-enoxybut-2-ene
CID 11366991
3-methylbut-2-enyl acetate
CID 87304509
methyl (Z)-2-(3-methylbut-2-enoxy)but-2-enoate
CID 102021697
3-methylbut-2-enyl 2,2-dichloroacetate
CID 11138055
3-methylbut-2-enyl 3-oxobutanoate
CID 4173429
[(Z)-5-ethylnon-2-enyl] methyl carbonate
CID 101051912
S-ethyl (2E,6E)-8-methoxycarbonyloxyocta-2,6-dienethioate
CID 11184482
2,4-dimethylpentan-3-yl [(E)-pent-2-enyl] carbonate
CID 118654590
buta-2,3-dienyl methyl carbonate
CID 10855467
[(Z)-4-ethoxycarbonyloxybut-2-enyl] acetate
CID 11127322

Frequently Asked Questions

What is the IUPAC name of methyl [(Z)-4-(3-methylbut-2-enoxy)but-2-enyl] carbonate?
The IUPAC name of methyl [(Z)-4-(3-methylbut-2-enoxy)but-2-enyl] carbonate (CID 101449662) is methyl [(Z)-4-(3-methylbut-2-enoxy)but-2-enyl] carbonate.
What is the SMILES notation for methyl [(Z)-4-(3-methylbut-2-enoxy)but-2-enyl] carbonate?
The canonical SMILES for methyl [(Z)-4-(3-methylbut-2-enoxy)but-2-enyl] carbonate is COC(=O)OC/C=C\COCC=C(C)C.
What is the InChIKey of methyl [(Z)-4-(3-methylbut-2-enoxy)but-2-enyl] carbonate?
The InChIKey is AZJHFLRLRKEDFV-PLNGDYQASA-N. The full InChI is InChI=1S/C11H18O4/c1-10(2)6-9-14-7-4-5-8-15-11(12)13-3/h4-6H,7-9H2,1-3H3/b5-4-.
What are the key properties of methyl [(Z)-4-(3-methylbut-2-enoxy)but-2-enyl] carbonate?
methyl [(Z)-4-(3-methylbut-2-enoxy)but-2-enyl] carbonate has a molecular weight of 214.26 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(Z)-4-(3-methylbut-2-enoxy)but-2-enyl] carbonate is sourced from PubChem (CID 101449662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).