but-3-en-2-yl 2-methylprop-2-enoate;carbonic acid

C9H14O5 — CID 175587057

IUPACbut-3-en-2-yl 2-methylprop-2-enoate;carbonic acid
SMILESC=CC(C)OC(=O)C(=C)C.O=C(O)O
InChIInChI=1S/C8H12O2.CH2O3/c1-5-7(4)10-8(9)6(2)3;2-1(3)4/h5,7H,1-2H2,3-4H3;(H2,2,3,4)
InChIKeyOVZJAHSZSDLYIT-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.90
Rot. Bonds3

About but-3-en-2-yl 2-methylprop-2-enoate;carbonic acid

but-3-en-2-yl 2-methylprop-2-enoate;carbonic acid (PubChem CID 175587057) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is but-3-en-2-yl 2-methylprop-2-enoate;carbonic acid.

Molecular Properties

Compound Namebut-3-en-2-yl 2-methylprop-2-enoate;carbonic acid
PubChem CID175587057
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Namebut-3-en-2-yl 2-methylprop-2-enoate;carbonic acid
SMILESC=CC(C)OC(=O)C(=C)C.O=C(O)O
InChIInChI=1S/C8H12O2.CH2O3/c1-5-7(4)10-8(9)6(2)3;2-1(3)4/h5,7H,1-2H2,3-4H3;(H2,2,3,4)
InChIKeyOVZJAHSZSDLYIT-UHFFFAOYSA-N
XLogP1.90
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(2R)-but-3-en-2-yl] acetate
CID 11378468
propan-2-yl 2-methylprop-2-enoate
CID 146421311
but-3-en-2-yl 2-acetylbut-2-enoate
CID 71427747
4-aminopent-3-en-2-yl 2-methylprop-2-enoate
CID 173363943
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
1-[1-(2-methylprop-2-enoyloxy)prop-2-enoxy]prop-2-enyl 2-methylprop-2-enoate
CID 87514623
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride
CID 87215284
trimethyl-[1-(2-methylprop-2-enoyloxy)prop-2-enyl]azanium
CID 87588648
1-methoxyethyl 2-methylprop-2-enoate;bis(prop-2-enoic acid)
CID 174970687
2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773
methanol;2-(2-methylprop-2-enoyloxy)propanoic acid
CID 174868597

Frequently Asked Questions

What is the IUPAC name of but-3-en-2-yl 2-methylprop-2-enoate;carbonic acid?
The IUPAC name of but-3-en-2-yl 2-methylprop-2-enoate;carbonic acid (CID 175587057) is but-3-en-2-yl 2-methylprop-2-enoate;carbonic acid.
What is the SMILES notation for but-3-en-2-yl 2-methylprop-2-enoate;carbonic acid?
The canonical SMILES for but-3-en-2-yl 2-methylprop-2-enoate;carbonic acid is C=CC(C)OC(=O)C(=C)C.O=C(O)O.
What is the InChIKey of but-3-en-2-yl 2-methylprop-2-enoate;carbonic acid?
The InChIKey is OVZJAHSZSDLYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2.CH2O3/c1-5-7(4)10-8(9)6(2)3;2-1(3)4/h5,7H,1-2H2,3-4H3;(H2,2,3,4).
What are the key properties of but-3-en-2-yl 2-methylprop-2-enoate;carbonic acid?
but-3-en-2-yl 2-methylprop-2-enoate;carbonic acid has a molecular weight of 202.21 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-yl 2-methylprop-2-enoate;carbonic acid is sourced from PubChem (CID 175587057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).