2-[2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclopropyl]acetic acid

C10H16O2 — CID 15965673

IUPAC2-[2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclopropyl]acetic acid
SMILESC/C=C\C1C(CC(=O)O)C1(C)C
InChIInChI=1S/C10H16O2/c1-4-5-7-8(6-9(11)12)10(7,2)3/h4-5,7-8H,6H2,1-3H3,(H,11,12)/b5-4-
InChIKeyUBLHRAMSAXWAKY-PLNGDYQASA-N
MW168.24 g/mol
LogP2.31
Rot. Bonds3

About 2-[2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclopropyl]acetic acid

2-[2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclopropyl]acetic acid (PubChem CID 15965673) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclopropyl]acetic acid
PubChem CID15965673
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-[2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclopropyl]acetic acid
SMILESC/C=C\C1C(CC(=O)O)C1(C)C
InChIInChI=1S/C10H16O2/c1-4-5-7-8(6-9(11)12)10(7,2)3/h4-5,7-8H,6H2,1-3H3,(H,11,12)/b5-4-
InChIKeyUBLHRAMSAXWAKY-PLNGDYQASA-N
XLogP2.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S,3R)-3-formyl-2,2-dimethylcyclopropyl]acetic acid
CID 44631748
[(1R,3S)-2,2-dimethyl-3-prop-1-enylcyclopropyl]methanol
CID 54290463
trans-(1R,3S)-3-(carboxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 15559668
1-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]propan-2-one
CID 23451681
[(E)-2-[(1S,3S)-2,2-dimethyl-3-(2-oxopropyl)cyclopropyl]ethenyl] acetate
CID 11052913
2-ethyl-2-methyl-3-prop-1-enylcyclopropane-1-carboxylic acid
CID 68748322
sodium 3-(carboxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 170695891
2-(2-prop-1-enylcyclopropyl)acetic acid
CID 123975419
3-(3-hexyl-2,2-dimethylcyclopropyl)prop-2-enoic acid
CID 175295803
cis-(1S,3R)-2,2-dimethyl-3-(3-oxobutyl)cyclopropane-1-carbaldehyde
CID 12835794
propan-2-yl 2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylate
CID 68745562
tert-butyl 2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylate
CID 11521335

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclopropyl]acetic acid (CID 15965673) is 2-[2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclopropyl]acetic acid is C/C=C\C1C(CC(=O)O)C1(C)C.
What is the InChIKey of 2-[2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclopropyl]acetic acid?
The InChIKey is UBLHRAMSAXWAKY-PLNGDYQASA-N. The full InChI is InChI=1S/C10H16O2/c1-4-5-7-8(6-9(11)12)10(7,2)3/h4-5,7-8H,6H2,1-3H3,(H,11,12)/b5-4-.
What are the key properties of 2-[2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclopropyl]acetic acid?
2-[2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclopropyl]acetic acid has a molecular weight of 168.24 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclopropyl]acetic acid is sourced from PubChem (CID 15965673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).