acetic acid;2,2-dichloro-1-methylcyclopropan-1-ol

C6H10Cl2O3 — CID 71377534

IUPACacetic acid;2,2-dichloro-1-methylcyclopropan-1-ol
SMILESCC(=O)O.CC1(O)CC1(Cl)Cl
InChIInChI=1S/C4H6Cl2O.C2H4O2/c1-3(7)2-4(3,5)6;1-2(3)4/h7H,2H2,1H3;1H3,(H,3,4)
InChIKeyPMVROGMNYPVYFD-UHFFFAOYSA-N
MW201.05 g/mol
LogP1.41
Rot. Bonds

About acetic acid;2,2-dichloro-1-methylcyclopropan-1-ol

acetic acid;2,2-dichloro-1-methylcyclopropan-1-ol (PubChem CID 71377534) has the molecular formula C6H10Cl2O3 and a molecular weight of 201.05 g/mol. Its IUPAC name is acetic acid;2,2-dichloro-1-methylcyclopropan-1-ol.

Molecular Properties

Compound Nameacetic acid;2,2-dichloro-1-methylcyclopropan-1-ol
PubChem CID71377534
Molecular FormulaC6H10Cl2O3
Molecular Weight201.05 g/mol
Exact Mass200.00
IUPAC Nameacetic acid;2,2-dichloro-1-methylcyclopropan-1-ol
SMILESCC(=O)O.CC1(O)CC1(Cl)Cl
InChIInChI=1S/C4H6Cl2O.C2H4O2/c1-3(7)2-4(3,5)6;1-2(3)4/h7H,2H2,1H3;1H3,(H,3,4)
InChIKeyPMVROGMNYPVYFD-UHFFFAOYSA-N
XLogP1.41
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.05
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylic acid
CID 7003716
2,2,3,3-tetrachloro-1-methylcyclobutan-1-ol
CID 19764189
acetic acid;copper;tetrahydrate
CID 174987163
acetic acid;copper;dihydrate
CID 172826856
acetic acid;copper;hydrochloride
CID 173275063
acetic acid
CID 158444727
carbonic acid;1,1-dichloro-2-methyl-2-(trifluoromethyl)cyclopropane
CID 70402494
acetic acid;copper;nickel;hydrofluoride
CID 174884777
1-chloro-4,4-dimethylcyclohexane-1-carboxylic acid
CID 165485551
acetic acid;bicyclo[4.2.1]nonane-1,6-diol
CID 71323952
(1S)-1-hydroxy-2,2-dimethylcyclopropane-1-carboxylic acid
CID 10909599
(2,2-dichloro-1-methylcyclopropyl)methanol
CID 13018564

Frequently Asked Questions

What is the IUPAC name of acetic acid;2,2-dichloro-1-methylcyclopropan-1-ol?
The IUPAC name of acetic acid;2,2-dichloro-1-methylcyclopropan-1-ol (CID 71377534) is acetic acid;2,2-dichloro-1-methylcyclopropan-1-ol.
What is the SMILES notation for acetic acid;2,2-dichloro-1-methylcyclopropan-1-ol?
The canonical SMILES for acetic acid;2,2-dichloro-1-methylcyclopropan-1-ol is CC(=O)O.CC1(O)CC1(Cl)Cl.
What is the InChIKey of acetic acid;2,2-dichloro-1-methylcyclopropan-1-ol?
The InChIKey is PMVROGMNYPVYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl2O.C2H4O2/c1-3(7)2-4(3,5)6;1-2(3)4/h7H,2H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;2,2-dichloro-1-methylcyclopropan-1-ol?
acetic acid;2,2-dichloro-1-methylcyclopropan-1-ol has a molecular weight of 201.05 g/mol, XLogP of 1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,2-dichloro-1-methylcyclopropan-1-ol is sourced from PubChem (CID 71377534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).