(Z)-3-(3-methoxycarbonyl-2,2-dimethylcyclopropyl)prop-2-enoic acid

C10H14O4 — CID 139635749

IUPAC(Z)-3-(3-methoxycarbonyl-2,2-dimethylcyclopropyl)prop-2-enoic acid
SMILESCOC(=O)C1C(/C=C\C(=O)O)C1(C)C
InChIInChI=1S/C10H14O4/c1-10(2)6(4-5-7(11)12)8(10)9(13)14-3/h4-6,8H,1-3H3,(H,11,12)/b5-4-
InChIKeyXVGVRIYDHXJXPP-PLNGDYQASA-N
MW198.22 g/mol
LogP1.07
Rot. Bonds3

About (Z)-3-(3-methoxycarbonyl-2,2-dimethylcyclopropyl)prop-2-enoic acid

(Z)-3-(3-methoxycarbonyl-2,2-dimethylcyclopropyl)prop-2-enoic acid (PubChem CID 139635749) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (Z)-3-(3-methoxycarbonyl-2,2-dimethylcyclopropyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(3-methoxycarbonyl-2,2-dimethylcyclopropyl)prop-2-enoic acid
PubChem CID139635749
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(Z)-3-(3-methoxycarbonyl-2,2-dimethylcyclopropyl)prop-2-enoic acid
SMILESCOC(=O)C1C(/C=C\C(=O)O)C1(C)C
InChIInChI=1S/C10H14O4/c1-10(2)6(4-5-7(11)12)8(10)9(13)14-3/h4-6,8H,1-3H3,(H,11,12)/b5-4-
InChIKeyXVGVRIYDHXJXPP-PLNGDYQASA-N
XLogP1.07
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-methoxycarbonyl-2,2-dimethylcyclopropyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(3-methoxycarbonyl-2,2-dimethylcyclopropyl)prop-2-enoic acid (CID 139635749) is (Z)-3-(3-methoxycarbonyl-2,2-dimethylcyclopropyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(3-methoxycarbonyl-2,2-dimethylcyclopropyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(3-methoxycarbonyl-2,2-dimethylcyclopropyl)prop-2-enoic acid is COC(=O)C1C(/C=C\C(=O)O)C1(C)C.
What is the InChIKey of (Z)-3-(3-methoxycarbonyl-2,2-dimethylcyclopropyl)prop-2-enoic acid?
The InChIKey is XVGVRIYDHXJXPP-PLNGDYQASA-N. The full InChI is InChI=1S/C10H14O4/c1-10(2)6(4-5-7(11)12)8(10)9(13)14-3/h4-6,8H,1-3H3,(H,11,12)/b5-4-.
What are the key properties of (Z)-3-(3-methoxycarbonyl-2,2-dimethylcyclopropyl)prop-2-enoic acid?
(Z)-3-(3-methoxycarbonyl-2,2-dimethylcyclopropyl)prop-2-enoic acid has a molecular weight of 198.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-methoxycarbonyl-2,2-dimethylcyclopropyl)prop-2-enoic acid is sourced from PubChem (CID 139635749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).