carbonic acid;1,1-dichloro-2-methylcyclopropane

C5H8Cl2O3 — CID 68873513

IUPACcarbonic acid;1,1-dichloro-2-methylcyclopropane
SMILESCC1CC1(Cl)Cl.O=C(O)O
InChIInChI=1S/C4H6Cl2.CH2O3/c1-3-2-4(3,5)6;2-1(3)4/h3H,2H2,1H3;(H2,2,3,4)
InChIKeyFUCPPXZIEFTXNQ-UHFFFAOYSA-N
MW187.02 g/mol
LogP2.42
Rot. Bonds

About carbonic acid;1,1-dichloro-2-methylcyclopropane

carbonic acid;1,1-dichloro-2-methylcyclopropane (PubChem CID 68873513) has the molecular formula C5H8Cl2O3 and a molecular weight of 187.02 g/mol. Its IUPAC name is carbonic acid;1,1-dichloro-2-methylcyclopropane.

Molecular Properties

Compound Namecarbonic acid;1,1-dichloro-2-methylcyclopropane
PubChem CID68873513
Molecular FormulaC5H8Cl2O3
Molecular Weight187.02 g/mol
Exact Mass185.99
IUPAC Namecarbonic acid;1,1-dichloro-2-methylcyclopropane
SMILESCC1CC1(Cl)Cl.O=C(O)O
InChIInChI=1S/C4H6Cl2.CH2O3/c1-3-2-4(3,5)6;2-1(3)4/h3H,2H2,1H3;(H2,2,3,4)
InChIKeyFUCPPXZIEFTXNQ-UHFFFAOYSA-N
XLogP2.42
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.02
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1,2-dimethylcyclopropane-1-carboxylic acid
CID 69400955
2-[(1R)-2,2-dichlorocyclopropyl]acetic acid
CID 99811196
tert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate
CID 7003899
2-chloro-2-hydroxy-2-(1-hydroxy-2-methylcyclopropyl)acetic acid
CID 67737079
2-methyl-1-(methylamino)cyclopropane-1-carboxylic acid
CID 4627778
acetic acid;1-chloroadamantane
CID 175013443
1,2,3-trimethylcyclobutane-1,2-dicarboxylic acid
CID 20525202
3,3-dichlorocyclobutane-1-carboxylic acid
CID 53439787
2,2-dichlorocyclopropan-1-ol
CID 13351707
2-methylcyclopropane-1,1-diol
CID 68932442
2-[(1R)-1-amino-2-methylcyclopropyl]acetic acid
CID 171036084
cis-(1R,2R)-1-[(1R)-1-hydroxyethyl]-2-methylcyclopropane-1-carboxylic acid
CID 15362374

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1,1-dichloro-2-methylcyclopropane?
The IUPAC name of carbonic acid;1,1-dichloro-2-methylcyclopropane (CID 68873513) is carbonic acid;1,1-dichloro-2-methylcyclopropane.
What is the SMILES notation for carbonic acid;1,1-dichloro-2-methylcyclopropane?
The canonical SMILES for carbonic acid;1,1-dichloro-2-methylcyclopropane is CC1CC1(Cl)Cl.O=C(O)O.
What is the InChIKey of carbonic acid;1,1-dichloro-2-methylcyclopropane?
The InChIKey is FUCPPXZIEFTXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl2.CH2O3/c1-3-2-4(3,5)6;2-1(3)4/h3H,2H2,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;1,1-dichloro-2-methylcyclopropane?
carbonic acid;1,1-dichloro-2-methylcyclopropane has a molecular weight of 187.02 g/mol, XLogP of 2.42, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1,1-dichloro-2-methylcyclopropane is sourced from PubChem (CID 68873513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).