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

C8H12O2 — CID 154493247

IUPAC(Z)-3-(2,2-dimethylcyclopropyl)prop-2-enoic acid
SMILESCC1(C)CC1/C=C\C(=O)O
InChIInChI=1S/C8H12O2/c1-8(2)5-6(8)3-4-7(9)10/h3-4,6H,5H2,1-2H3,(H,9,10)/b4-3-
InChIKeyDDUGCSWYMZCTQF-ARJAWSKDSA-N
MW140.18 g/mol
LogP1.67
Rot. Bonds2

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

(Z)-3-(2,2-dimethylcyclopropyl)prop-2-enoic acid (PubChem CID 154493247) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (Z)-3-(2,2-dimethylcyclopropyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2,2-dimethylcyclopropyl)prop-2-enoic acid
PubChem CID154493247
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(Z)-3-(2,2-dimethylcyclopropyl)prop-2-enoic acid
SMILESCC1(C)CC1/C=C\C(=O)O
InChIInChI=1S/C8H12O2/c1-8(2)5-6(8)3-4-7(9)10/h3-4,6H,5H2,1-2H3,(H,9,10)/b4-3-
InChIKeyDDUGCSWYMZCTQF-ARJAWSKDSA-N
XLogP1.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;2-(2-fluoroethenyl)-1,1-dimethylcyclopropane
CID 70131151
(E)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid
CID 12861744
(E)-3-[(1R)-2,2-diphenylcyclopropyl]prop-2-enoic acid
CID 14347540
trans-(1S,3R)-3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 70394950
3-(2,2-dimethylcyclopropyl)prop-2-enal
CID 88727761
(E)-3-(2,2,6-trimethylcyclohexyl)prop-2-enoic acid
CID 67805353
3-(1,4,5,6,7,7-hexachloro-2-bicyclo[2.2.1]hept-5-enyl)prop-2-enoic acid
CID 54477452
carbonic acid;1,1-dimethyl-2-non-1-enylcyclopropane
CID 70519875
3-(2,2-dihydroxycyclododecyl)prop-2-enoic acid
CID 57100742
carbonic acid;2-(2,2-dimethylcyclopropyl)ethenylsulfanylbenzene
CID 70566873
(E)-3-(7-methylspiro[3.5]nonan-2-yl)prop-2-enoic acid
CID 156559657
3-(2,2-dimethyl-3,4-dihydrochromen-3-yl)prop-2-enoic acid
CID 91527429

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,2-dimethylcyclopropyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(2,2-dimethylcyclopropyl)prop-2-enoic acid (CID 154493247) is (Z)-3-(2,2-dimethylcyclopropyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(2,2-dimethylcyclopropyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(2,2-dimethylcyclopropyl)prop-2-enoic acid is CC1(C)CC1/C=C\C(=O)O.
What is the InChIKey of (Z)-3-(2,2-dimethylcyclopropyl)prop-2-enoic acid?
The InChIKey is DDUGCSWYMZCTQF-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H12O2/c1-8(2)5-6(8)3-4-7(9)10/h3-4,6H,5H2,1-2H3,(H,9,10)/b4-3-.
What are the key properties of (Z)-3-(2,2-dimethylcyclopropyl)prop-2-enoic acid?
(Z)-3-(2,2-dimethylcyclopropyl)prop-2-enoic acid has a molecular weight of 140.18 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,2-dimethylcyclopropyl)prop-2-enoic acid is sourced from PubChem (CID 154493247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).