cis-benzyl (1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate

C15H18O2 — CID 78324671

IUPACcis-benzyl (1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate
SMILESC=C[C@@H]1[C@@H](C(=O)OCc2ccccc2)C1(C)C
InChIInChI=1S/C15H18O2/c1-4-12-13(15(12,2)3)14(16)17-10-11-8-6-5-7-9-11/h4-9,12-13H,1,10H2,2-3H3/t12-,13+/m1/s1
InChIKeyHRHGPNMSUQOUDB-OLZOCXBDSA-N
MW230.31 g/mol
LogP3.19
Rot. Bonds4

About cis-benzyl (1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate

cis-benzyl (1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 78324671) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is cis-benzyl (1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-benzyl (1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID78324671
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Namecis-benzyl (1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate
SMILESC=C[C@@H]1[C@@H](C(=O)OCc2ccccc2)C1(C)C
InChIInChI=1S/C15H18O2/c1-4-12-13(15(12,2)3)14(16)17-10-11-8-6-5-7-9-11/h4-9,12-13H,1,10H2,2-3H3/t12-,13+/m1/s1
InChIKeyHRHGPNMSUQOUDB-OLZOCXBDSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.19
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

trans-benzyl (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 139984141
trans-benzyl (1R,3R)-3-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 54107449
(3-benzylphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 12944761
trans-(3-phenylphenyl)methyl (1S,3S)-2,2-dimethyl-3-(2,3,3,3-tetrafluoroprop-1-enyl)cyclopropane-1-carboxylate
CID 70584004
(3-phenylphenyl)methyl 3-[(Z)-2-bromo-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 88777036
3-[(1S,3R)-2,2-dimethyl-3-[(3-phenoxyphenyl)methoxycarbonyl]cyclopropyl]prop-2-enoic acid
CID 54325367
trans-(3-phenylphenyl)methyl (1R,3R)-3-(2,3-dichloro-3,3-difluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 88777574
benzyl but-3-enoate
CID 11019385
trans-(5-benzylfuran-3-yl)methyl (1R,3R)-3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 54142900
methyl 2,2-dimethyl-3-[(E)-3-phenylprop-1-enyl]cyclopropane-1-carboxylate
CID 23158606
trans-(3-phenylphenyl)methyl (1R,3R)-3-[(E)-2,4-dichloro-3,3,4,4-tetrafluorobut-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 88776843
benzyl hydrogen carbonate;prop-2-enoic acid
CID 68849942

Frequently Asked Questions

What is the IUPAC name of cis-benzyl (1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of cis-benzyl (1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate (CID 78324671) is cis-benzyl (1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-benzyl (1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for cis-benzyl (1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate is C=C[C@@H]1[C@@H](C(=O)OCc2ccccc2)C1(C)C.
What is the InChIKey of cis-benzyl (1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is HRHGPNMSUQOUDB-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H18O2/c1-4-12-13(15(12,2)3)14(16)17-10-11-8-6-5-7-9-11/h4-9,12-13H,1,10H2,2-3H3/t12-,13+/m1/s1.
What are the key properties of cis-benzyl (1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate?
cis-benzyl (1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-benzyl (1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 78324671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).