(2,2-dichloro-1,3,3-trimethylcyclopropyl)methanol

C7H12Cl2O — CID 14074811

IUPAC(2,2-dichloro-1,3,3-trimethylcyclopropyl)methanol
SMILESCC1(C)C(Cl)(Cl)C1(C)CO
InChIInChI=1S/C7H12Cl2O/c1-5(2)6(3,4-10)7(5,8)9/h10H,4H2,1-3H3
InChIKeyCLVMNGNDDJPWIP-UHFFFAOYSA-N
MW183.08 g/mol
LogP2.20
Rot. Bonds1

About (2,2-dichloro-1,3,3-trimethylcyclopropyl)methanol

(2,2-dichloro-1,3,3-trimethylcyclopropyl)methanol (PubChem CID 14074811) has the molecular formula C7H12Cl2O and a molecular weight of 183.08 g/mol. Its IUPAC name is (2,2-dichloro-1,3,3-trimethylcyclopropyl)methanol.

Molecular Properties

Compound Name(2,2-dichloro-1,3,3-trimethylcyclopropyl)methanol
PubChem CID14074811
Molecular FormulaC7H12Cl2O
Molecular Weight183.08 g/mol
Exact Mass182.03
IUPAC Name(2,2-dichloro-1,3,3-trimethylcyclopropyl)methanol
SMILESCC1(C)C(Cl)(Cl)C1(C)CO
InChIInChI=1S/C7H12Cl2O/c1-5(2)6(3,4-10)7(5,8)9/h10H,4H2,1-3H3
InChIKeyCLVMNGNDDJPWIP-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.08
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2-dichloro-1,3,3-trimethylcyclopropyl)methanol?
The IUPAC name of (2,2-dichloro-1,3,3-trimethylcyclopropyl)methanol (CID 14074811) is (2,2-dichloro-1,3,3-trimethylcyclopropyl)methanol.
What is the SMILES notation for (2,2-dichloro-1,3,3-trimethylcyclopropyl)methanol?
The canonical SMILES for (2,2-dichloro-1,3,3-trimethylcyclopropyl)methanol is CC1(C)C(Cl)(Cl)C1(C)CO.
What is the InChIKey of (2,2-dichloro-1,3,3-trimethylcyclopropyl)methanol?
The InChIKey is CLVMNGNDDJPWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2O/c1-5(2)6(3,4-10)7(5,8)9/h10H,4H2,1-3H3.
What are the key properties of (2,2-dichloro-1,3,3-trimethylcyclopropyl)methanol?
(2,2-dichloro-1,3,3-trimethylcyclopropyl)methanol has a molecular weight of 183.08 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichloro-1,3,3-trimethylcyclopropyl)methanol is sourced from PubChem (CID 14074811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).