1-(chloromethyl)-2-(2-methoxy-2-methylpropyl)cyclopropane

C9H17ClO — CID 106676678

IUPAC1-(chloromethyl)-2-(2-methoxy-2-methylpropyl)cyclopropane
SMILESCOC(C)(C)CC1CC1CCl
InChIInChI=1S/C9H17ClO/c1-9(2,11-3)5-7-4-8(7)6-10/h7-8H,4-6H2,1-3H3
InChIKeyDOJNWSSVBCYPCC-UHFFFAOYSA-N
MW176.69 g/mol
LogP2.68
Rot. Bonds4

About 1-(chloromethyl)-2-(2-methoxy-2-methylpropyl)cyclopropane

1-(chloromethyl)-2-(2-methoxy-2-methylpropyl)cyclopropane (PubChem CID 106676678) has the molecular formula C9H17ClO and a molecular weight of 176.69 g/mol. Its IUPAC name is 1-(chloromethyl)-2-(2-methoxy-2-methylpropyl)cyclopropane.

Molecular Properties

Compound Name1-(chloromethyl)-2-(2-methoxy-2-methylpropyl)cyclopropane
PubChem CID106676678
Molecular FormulaC9H17ClO
Molecular Weight176.69 g/mol
Exact Mass176.10
IUPAC Name1-(chloromethyl)-2-(2-methoxy-2-methylpropyl)cyclopropane
SMILESCOC(C)(C)CC1CC1CCl
InChIInChI=1S/C9H17ClO/c1-9(2,11-3)5-7-4-8(7)6-10/h7-8H,4-6H2,1-3H3
InChIKeyDOJNWSSVBCYPCC-UHFFFAOYSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2-methoxy-2-methylpropyl)cyclopropyl]methyl]cyclopropanamine
CID 106676406
2-(2-methoxy-2-methylpropyl)oxirane
CID 18626422
4-(2-methoxy-2-methylpropyl)-2,6-dimethylcyclohexan-1-ol
CID 67843504
5-ethyl-4-(2-methoxy-2-methylpropyl)pyrrolidin-2-one
CID 106676548
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
bis(2-chloro-4-methoxy-4-methylpentan-2-yl)diazene
CID 139700863
1-(2-methoxy-2-methylpropyl)-3-propan-2-yloxycyclohexane
CID 137452893
4-(chloromethyl)-2-methoxy-2,4-dimethylhexane
CID 165442895
4-bromo-1-(2-methoxy-2-methylpropyl)-2-methylpyrrolidine
CID 131025728
1-bromo-2-(chloromethyl)cyclopropane
CID 543062
dichloromethane;methanol;2-methoxy-2-methylpropane
CID 87545382
3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 103029487

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-(2-methoxy-2-methylpropyl)cyclopropane?
The IUPAC name of 1-(chloromethyl)-2-(2-methoxy-2-methylpropyl)cyclopropane (CID 106676678) is 1-(chloromethyl)-2-(2-methoxy-2-methylpropyl)cyclopropane.
What is the SMILES notation for 1-(chloromethyl)-2-(2-methoxy-2-methylpropyl)cyclopropane?
The canonical SMILES for 1-(chloromethyl)-2-(2-methoxy-2-methylpropyl)cyclopropane is COC(C)(C)CC1CC1CCl.
What is the InChIKey of 1-(chloromethyl)-2-(2-methoxy-2-methylpropyl)cyclopropane?
The InChIKey is DOJNWSSVBCYPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO/c1-9(2,11-3)5-7-4-8(7)6-10/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(chloromethyl)-2-(2-methoxy-2-methylpropyl)cyclopropane?
1-(chloromethyl)-2-(2-methoxy-2-methylpropyl)cyclopropane has a molecular weight of 176.69 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-(2-methoxy-2-methylpropyl)cyclopropane is sourced from PubChem (CID 106676678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).