cis-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl) (1R,3S)-3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

C18H22F2O2 — CID 22818717

IUPACcis-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl) (1R,3S)-3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESC=CCC1=C(C)C(OC(=O)[C@@H]2[C@@H](C=C(F)F)C2(C)C)CC1=C
InChIInChI=1S/C18H22F2O2/c1-6-7-12-10(2)8-14(11(12)3)22-17(21)16-13(9-15(19)20)18(16,4)5/h6,9,13-14,16H,1-2,7-8H2,3-5H3/t13-,14?,16+/m1/s1
InChIKeyYBZJZIRMWYRHQI-XIFZVWCKSA-N
MW308.37 g/mol
LogP4.80
Rot. Bonds5

About cis-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl) (1R,3S)-3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

cis-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl) (1R,3S)-3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 22818717) has the molecular formula C18H22F2O2 and a molecular weight of 308.37 g/mol. Its IUPAC name is cis-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl) (1R,3S)-3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl) (1R,3S)-3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID22818717
Molecular FormulaC18H22F2O2
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Namecis-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl) (1R,3S)-3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESC=CCC1=C(C)C(OC(=O)[C@@H]2[C@@H](C=C(F)F)C2(C)C)CC1=C
InChIInChI=1S/C18H22F2O2/c1-6-7-12-10(2)8-14(11(12)3)22-17(21)16-13(9-15(19)20)18(16,4)5/h6,9,13-14,16H,1-2,7-8H2,3-5H3/t13-,14?,16+/m1/s1
InChIKeyYBZJZIRMWYRHQI-XIFZVWCKSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pyrethrin I
CID 5281045
Pyrethrin 1
CID 6433154
cis-[2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 45270414
[2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 5371264
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2,4-pentadienyl)-2-cyclopenten-1-yl ester
CID 56660531
cis-[(1R)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 11056553
Pyrethrine 1
CID 579153
(2-Methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2,3-trimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylate
CID 12817626
(2-Methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2-dimethyl-3,3-bis(trifluoromethyl)cyclopropane-1-carboxylate
CID 12817668
(2-Methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carboxylate
CID 13044685
(2-Methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2,3,3-tetrakis(fluoromethyl)cyclopropane-1-carboxylate
CID 13044728
(RS)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl (1R)-trans-3-(2-methyl-1-propenyl)-2,2-dimethylcyclopropanecarboxylate
CID 15389978

Frequently Asked Questions

What is the IUPAC name of cis-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl) (1R,3S)-3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of cis-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl) (1R,3S)-3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate (CID 22818717) is cis-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl) (1R,3S)-3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl) (1R,3S)-3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for cis-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl) (1R,3S)-3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate is C=CCC1=C(C)C(OC(=O)[C@@H]2[C@@H](C=C(F)F)C2(C)C)CC1=C.
What is the InChIKey of cis-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl) (1R,3S)-3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is YBZJZIRMWYRHQI-XIFZVWCKSA-N. The full InChI is InChI=1S/C18H22F2O2/c1-6-7-12-10(2)8-14(11(12)3)22-17(21)16-13(9-15(19)20)18(16,4)5/h6,9,13-14,16H,1-2,7-8H2,3-5H3/t13-,14?,16+/m1/s1.
What are the key properties of cis-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl) (1R,3S)-3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
cis-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl) (1R,3S)-3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 308.37 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl) (1R,3S)-3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 22818717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).