cis-tert-butyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

C14H24O2 — CID 10922171

IUPACcis-tert-butyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SMILESCC(C)=C[C@H]1[C@H](C(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C14H24O2/c1-9(2)8-10-11(14(10,6)7)12(15)16-13(3,4)5/h8,10-11H,1-7H3/t10-,11+/m0/s1
InChIKeyYDNUIHHAHDMFJZ-WDEREUQCSA-N
MW224.34 g/mol
LogP3.57
Rot. Bonds2

About cis-tert-butyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

cis-tert-butyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (PubChem CID 10922171) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is cis-tert-butyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-tert-butyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
PubChem CID10922171
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namecis-tert-butyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SMILESCC(C)=C[C@H]1[C@H](C(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C14H24O2/c1-9(2)8-10-11(14(10,6)7)12(15)16-13(3,4)5/h8,10-11H,1-7H3/t10-,11+/m0/s1
InChIKeyYDNUIHHAHDMFJZ-WDEREUQCSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-tert-butyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-tert-butyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (CID 10922171) is cis-tert-butyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-tert-butyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-tert-butyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is CC(C)=C[C@H]1[C@H](C(=O)OC(C)(C)C)C1(C)C.
What is the InChIKey of cis-tert-butyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The InChIKey is YDNUIHHAHDMFJZ-WDEREUQCSA-N. The full InChI is InChI=1S/C14H24O2/c1-9(2)8-10-11(14(10,6)7)12(15)16-13(3,4)5/h8,10-11H,1-7H3/t10-,11+/m0/s1.
What are the key properties of cis-tert-butyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
cis-tert-butyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate has a molecular weight of 224.34 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-tert-butyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 10922171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).