ethyl (1R)-2-methyl-1-prop-2-enylcyclopropane-1-carboxylate

C10H16O2 — CID 135036777

IUPACethyl (1R)-2-methyl-1-prop-2-enylcyclopropane-1-carboxylate
SMILESC=CC[C@]1(C(=O)OCC)CC1C
InChIInChI=1S/C10H16O2/c1-4-6-10(7-8(10)3)9(11)12-5-2/h4,8H,1,5-7H2,2-3H3/t8?,10-/m0/s1
InChIKeyYHPJYBOTGJCNLT-HTLJXXAVSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds4

About ethyl (1R)-2-methyl-1-prop-2-enylcyclopropane-1-carboxylate

ethyl (1R)-2-methyl-1-prop-2-enylcyclopropane-1-carboxylate (PubChem CID 135036777) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is ethyl (1R)-2-methyl-1-prop-2-enylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R)-2-methyl-1-prop-2-enylcyclopropane-1-carboxylate
PubChem CID135036777
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nameethyl (1R)-2-methyl-1-prop-2-enylcyclopropane-1-carboxylate
SMILESC=CC[C@]1(C(=O)OCC)CC1C
InChIInChI=1S/C10H16O2/c1-4-6-10(7-8(10)3)9(11)12-5-2/h4,8H,1,5-7H2,2-3H3/t8?,10-/m0/s1
InChIKeyYHPJYBOTGJCNLT-HTLJXXAVSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.15
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

Ethyl chrysanthemate
CID 7334
Methyl chrysanthemate
CID 91127
3-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
CID 12082921
Diethyl 2-vinylcyclopropane-1,1-dicarboxylate
CID 111025
2-Propyl-4-pentenoic Acid Methyl Ester
CID 21593437
Ethyl trans-chrysanthemate
CID 177610
Methyl (+)-cis-chrysanthemate
CID 11206160
Methyl trans-2,6,6-trimethyl-3-cyclohexene-1-carboxylate
CID 12082923
Propan-2-yl 2-propylpent-4-enoate
CID 44395658
Ethyl 1-allylcyclopropanecarboxylate
CID 12619317
[(1S,3S)-2,2-dimethyl-3-prop-2-enylcyclopropyl]methyl acetate
CID 163106225
Methyl trans-chrysanthemate
CID 10965156

Frequently Asked Questions

What is the IUPAC name of ethyl (1R)-2-methyl-1-prop-2-enylcyclopropane-1-carboxylate?
The IUPAC name of ethyl (1R)-2-methyl-1-prop-2-enylcyclopropane-1-carboxylate (CID 135036777) is ethyl (1R)-2-methyl-1-prop-2-enylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl (1R)-2-methyl-1-prop-2-enylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl (1R)-2-methyl-1-prop-2-enylcyclopropane-1-carboxylate is C=CC[C@]1(C(=O)OCC)CC1C.
What is the InChIKey of ethyl (1R)-2-methyl-1-prop-2-enylcyclopropane-1-carboxylate?
The InChIKey is YHPJYBOTGJCNLT-HTLJXXAVSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-6-10(7-8(10)3)9(11)12-5-2/h4,8H,1,5-7H2,2-3H3/t8?,10-/m0/s1.
What are the key properties of ethyl (1R)-2-methyl-1-prop-2-enylcyclopropane-1-carboxylate?
ethyl (1R)-2-methyl-1-prop-2-enylcyclopropane-1-carboxylate has a molecular weight of 168.24 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R)-2-methyl-1-prop-2-enylcyclopropane-1-carboxylate is sourced from PubChem (CID 135036777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).