cis-methyl (2R,3S)-2,3-bis(ethenyl)cyclopropane-1-carboxylate

C9H12O2 — CID 102145093

IUPACcis-methyl (2R,3S)-2,3-bis(ethenyl)cyclopropane-1-carboxylate
SMILESC=C[C@@H]1C(C(=O)OC)[C@@H]1C=C
InChIInChI=1S/C9H12O2/c1-4-6-7(5-2)8(6)9(10)11-3/h4-8H,1-2H2,3H3/t6-,7+,8?
InChIKeyPLDIKCASGGJDTQ-DHBOJHSNSA-N
MW152.19 g/mol
LogP1.39
Rot. Bonds3

About cis-methyl (2R,3S)-2,3-bis(ethenyl)cyclopropane-1-carboxylate

cis-methyl (2R,3S)-2,3-bis(ethenyl)cyclopropane-1-carboxylate (PubChem CID 102145093) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is cis-methyl (2R,3S)-2,3-bis(ethenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (2R,3S)-2,3-bis(ethenyl)cyclopropane-1-carboxylate
PubChem CID102145093
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Namecis-methyl (2R,3S)-2,3-bis(ethenyl)cyclopropane-1-carboxylate
SMILESC=C[C@@H]1C(C(=O)OC)[C@@H]1C=C
InChIInChI=1S/C9H12O2/c1-4-6-7(5-2)8(6)9(10)11-3/h4-8H,1-2H2,3H3/t6-,7+,8?
InChIKeyPLDIKCASGGJDTQ-DHBOJHSNSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.39
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

2-Propyl-4-pentenoic Acid Methyl Ester
CID 21593437
Methyl 2-prop-2-enylpent-4-enoate
CID 574630
[(3S)-3-methylhex-5-en-2-yl] hex-5-enoate
CID 162414695
5-Hexenoic acid, 3-methyl-, ethyl ester
CID 10866583
Methyl 3-methylhex-5-enoate
CID 12589767
Methyl 3,3-dimethylhex-5-enoate
CID 12676513
Butanedioic acid, 2-(2-propen-1-yl)-, 1,4-dimethyl ester
CID 13194780
Methyl 2-ethylpent-4-enoate
CID 13700206
tert-Butyl 2-ethenylcyclopropane-1-carboxylate
CID 14140138
Methyl 2-prop-1-en-2-ylpent-4-enoate
CID 14571347
methyl (3R)-3-methyl-5-hexenoate
CID 25023467
Methyl 2-ethenyl-4-methylpent-4-enoate
CID 86109365

Frequently Asked Questions

What is the IUPAC name of cis-methyl (2R,3S)-2,3-bis(ethenyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (2R,3S)-2,3-bis(ethenyl)cyclopropane-1-carboxylate (CID 102145093) is cis-methyl (2R,3S)-2,3-bis(ethenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (2R,3S)-2,3-bis(ethenyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (2R,3S)-2,3-bis(ethenyl)cyclopropane-1-carboxylate is C=C[C@@H]1C(C(=O)OC)[C@@H]1C=C.
What is the InChIKey of cis-methyl (2R,3S)-2,3-bis(ethenyl)cyclopropane-1-carboxylate?
The InChIKey is PLDIKCASGGJDTQ-DHBOJHSNSA-N. The full InChI is InChI=1S/C9H12O2/c1-4-6-7(5-2)8(6)9(10)11-3/h4-8H,1-2H2,3H3/t6-,7+,8?.
What are the key properties of cis-methyl (2R,3S)-2,3-bis(ethenyl)cyclopropane-1-carboxylate?
cis-methyl (2R,3S)-2,3-bis(ethenyl)cyclopropane-1-carboxylate has a molecular weight of 152.19 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (2R,3S)-2,3-bis(ethenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 102145093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).