cis-(3-ethyl-2-methyl-4-methylidenecyclopent-2-en-1-yl) (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

C19H28O2 — CID 15389977

IUPACcis-(3-ethyl-2-methyl-4-methylidenecyclopent-2-en-1-yl) (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SMILESC=C1CC(OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C(C)=C1CC
InChIInChI=1S/C19H28O2/c1-8-14-12(4)10-16(13(14)5)21-18(20)17-15(9-11(2)3)19(17,6)7/h9,15-17H,4,8,10H2,1-3,5-7H3/t15-,16?,17+/m1/s1
InChIKeyBQWBOKHLGIQIKB-SKQWJGTPSA-N
MW288.43 g/mol
LogP4.82
Rot. Bonds4

About cis-(3-ethyl-2-methyl-4-methylidenecyclopent-2-en-1-yl) (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

cis-(3-ethyl-2-methyl-4-methylidenecyclopent-2-en-1-yl) (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (PubChem CID 15389977) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is cis-(3-ethyl-2-methyl-4-methylidenecyclopent-2-en-1-yl) (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-(3-ethyl-2-methyl-4-methylidenecyclopent-2-en-1-yl) (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
PubChem CID15389977
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Namecis-(3-ethyl-2-methyl-4-methylidenecyclopent-2-en-1-yl) (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SMILESC=C1CC(OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C(C)=C1CC
InChIInChI=1S/C19H28O2/c1-8-14-12(4)10-16(13(14)5)21-18(20)17-15(9-11(2)3)19(17,6)7/h9,15-17H,4,8,10H2,1-3,5-7H3/t15-,16?,17+/m1/s1
InChIKeyBQWBOKHLGIQIKB-SKQWJGTPSA-N
XLogP4.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.82
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

Allethrins
CID 11442
Pyrethrin II
CID 5281555
Pyrethrin I
CID 5281045
Bioallethrin
CID 15558638
Cinerin I
CID 5281547
S-Bioallethrin
CID 62829
cinerin II
CID 5281548
Jasmolin I
CID 12304687
Jasmolin II
CID 12304690
(-)-trans-(S)-allethrin
CID 908624
[(1R)-2-Methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 16403316
[(1S)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 70481745

Frequently Asked Questions

What is the IUPAC name of cis-(3-ethyl-2-methyl-4-methylidenecyclopent-2-en-1-yl) (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-(3-ethyl-2-methyl-4-methylidenecyclopent-2-en-1-yl) (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (CID 15389977) is cis-(3-ethyl-2-methyl-4-methylidenecyclopent-2-en-1-yl) (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-(3-ethyl-2-methyl-4-methylidenecyclopent-2-en-1-yl) (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-(3-ethyl-2-methyl-4-methylidenecyclopent-2-en-1-yl) (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is C=C1CC(OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C(C)=C1CC.
What is the InChIKey of cis-(3-ethyl-2-methyl-4-methylidenecyclopent-2-en-1-yl) (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The InChIKey is BQWBOKHLGIQIKB-SKQWJGTPSA-N. The full InChI is InChI=1S/C19H28O2/c1-8-14-12(4)10-16(13(14)5)21-18(20)17-15(9-11(2)3)19(17,6)7/h9,15-17H,4,8,10H2,1-3,5-7H3/t15-,16?,17+/m1/s1.
What are the key properties of cis-(3-ethyl-2-methyl-4-methylidenecyclopent-2-en-1-yl) (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
cis-(3-ethyl-2-methyl-4-methylidenecyclopent-2-en-1-yl) (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate has a molecular weight of 288.43 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3-ethyl-2-methyl-4-methylidenecyclopent-2-en-1-yl) (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 15389977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).