[(1R,3S)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropyl] hydrogen carbonate

C14H14Cl2O3 — CID 88614320

IUPAC[(1R,3S)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropyl] hydrogen carbonate
SMILESCC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1OC(=O)O
InChIInChI=1S/C14H14Cl2O3/c1-14(2)10(12(14)19-13(17)18)7-11(16)8-3-5-9(15)6-4-8/h3-7,10,12H,1-2H3,(H,17,18)/b11-7-/t10-,12-/m1/s1
InChIKeyNVMDZYMFEBZIOO-QESQTXLRSA-N
MW301.17 g/mol
LogP4.64
Rot. Bonds3

About [(1R,3S)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropyl] hydrogen carbonate

[(1R,3S)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropyl] hydrogen carbonate (PubChem CID 88614320) has the molecular formula C14H14Cl2O3 and a molecular weight of 301.17 g/mol. Its IUPAC name is [(1R,3S)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropyl] hydrogen carbonate.

Molecular Properties

Compound Name[(1R,3S)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropyl] hydrogen carbonate
PubChem CID88614320
Molecular FormulaC14H14Cl2O3
Molecular Weight301.17 g/mol
Exact Mass300.03
IUPAC Name[(1R,3S)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropyl] hydrogen carbonate
SMILESCC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1OC(=O)O
InChIInChI=1S/C14H14Cl2O3/c1-14(2)10(12(14)19-13(17)18)7-11(16)8-3-5-9(15)6-4-8/h3-7,10,12H,1-2H3,(H,17,18)/b11-7-/t10-,12-/m1/s1
InChIKeyNVMDZYMFEBZIOO-QESQTXLRSA-N
XLogP4.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[2-(4-chlorophenyl)-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl] hydrogen carbonate
CID 70519252
3-[2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-diethylcyclopropane-1-carboxylic acid
CID 91209131
(3-formyl-2,2-dimethylcyclopropyl) hydrogen carbonate
CID 88661845
3-chloro-1-[2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 57006264
cis-(1S,3R)-N-(2-amino-1-cyclopropyl-2-oxoethyl)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 166297769
3-[2-bromo-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 54563404
trans-ethyl (1R,3R)-3-[(Z)-2-chloro-2-phenylethenyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 12881554
trans-(1R,3R)-3-[(Z)-2-chloro-1-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 88623794
1-chloro-4-[(E)-1-chloro-2-iodoethenyl]benzene
CID 166064052
(3S)-3-[2-(4-chlorophenyl)-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 54049478
1-[1-bromo-2-(2,2-dimethylcyclopropyl)ethenyl]-4-chlorobenzene;carbonochloridic acid
CID 88726851
3-[2-chloro-2-(4-ethoxyphenyl)ethenyl]-2,2-dimethyloxirane
CID 54502240

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropyl] hydrogen carbonate?
The IUPAC name of [(1R,3S)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropyl] hydrogen carbonate (CID 88614320) is [(1R,3S)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropyl] hydrogen carbonate.
What is the SMILES notation for [(1R,3S)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropyl] hydrogen carbonate?
The canonical SMILES for [(1R,3S)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropyl] hydrogen carbonate is CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1OC(=O)O.
What is the InChIKey of [(1R,3S)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropyl] hydrogen carbonate?
The InChIKey is NVMDZYMFEBZIOO-QESQTXLRSA-N. The full InChI is InChI=1S/C14H14Cl2O3/c1-14(2)10(12(14)19-13(17)18)7-11(16)8-3-5-9(15)6-4-8/h3-7,10,12H,1-2H3,(H,17,18)/b11-7-/t10-,12-/m1/s1.
What are the key properties of [(1R,3S)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropyl] hydrogen carbonate?
[(1R,3S)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropyl] hydrogen carbonate has a molecular weight of 301.17 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropyl] hydrogen carbonate is sourced from PubChem (CID 88614320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).