2-chloro-1,1-bis(methoxymethyl)cyclobutane

C8H15ClO2 — CID 141062332

IUPAC2-chloro-1,1-bis(methoxymethyl)cyclobutane
SMILESCOCC1(COC)CCC1Cl
InChIInChI=1S/C8H15ClO2/c1-10-5-8(6-11-2)4-3-7(8)9/h7H,3-6H2,1-2H3
InChIKeyLOYYXQBBMPZHOF-UHFFFAOYSA-N
MW178.66 g/mol
LogP1.67
Rot. Bonds4

About 2-chloro-1,1-bis(methoxymethyl)cyclobutane

2-chloro-1,1-bis(methoxymethyl)cyclobutane (PubChem CID 141062332) has the molecular formula C8H15ClO2 and a molecular weight of 178.66 g/mol. Its IUPAC name is 2-chloro-1,1-bis(methoxymethyl)cyclobutane.

Molecular Properties

Compound Name2-chloro-1,1-bis(methoxymethyl)cyclobutane
PubChem CID141062332
Molecular FormulaC8H15ClO2
Molecular Weight178.66 g/mol
Exact Mass178.08
IUPAC Name2-chloro-1,1-bis(methoxymethyl)cyclobutane
SMILESCOCC1(COC)CCC1Cl
InChIInChI=1S/C8H15ClO2/c1-10-5-8(6-11-2)4-3-7(8)9/h7H,3-6H2,1-2H3
InChIKeyLOYYXQBBMPZHOF-UHFFFAOYSA-N
XLogP1.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8,8-bis(methoxymethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
CID 19105347
3-(methoxymethyl)-2-methyloxolan-3-ol
CID 82719325
2-(aminomethyl)-2-(methoxymethyl)-5,5-dimethylcyclopentan-1-ol
CID 130515088
1-ethyl-1-(methoxymethyl)cyclopropane
CID 23568583
(2S,3R)-3-(methoxymethyl)-2-methyloxocan-3-ol
CID 15853495
1-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one
CID 73040180
trans-(2S,5S)-1-fluoro-2,5-dimethoxy-1-(methoxymethyl)cyclopentane
CID 163986686
3-(methoxymethyl)-2-methyloxolan-3-amine
CID 114535350
4-(aminomethyl)-4-(methoxymethyl)cyclohexan-1-ol
CID 126979077
2-[5-(methoxymethyl)-5-methyloxolan-2-yl]acetonitrile
CID 130585649
1-(methoxymethyl)cyclohexan-1-ol
CID 12552140
1-(methoxymethyl)-1-methyl-3-propan-2-ylcyclopentane
CID 141214985

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1-bis(methoxymethyl)cyclobutane?
The IUPAC name of 2-chloro-1,1-bis(methoxymethyl)cyclobutane (CID 141062332) is 2-chloro-1,1-bis(methoxymethyl)cyclobutane.
What is the SMILES notation for 2-chloro-1,1-bis(methoxymethyl)cyclobutane?
The canonical SMILES for 2-chloro-1,1-bis(methoxymethyl)cyclobutane is COCC1(COC)CCC1Cl.
What is the InChIKey of 2-chloro-1,1-bis(methoxymethyl)cyclobutane?
The InChIKey is LOYYXQBBMPZHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO2/c1-10-5-8(6-11-2)4-3-7(8)9/h7H,3-6H2,1-2H3.
What are the key properties of 2-chloro-1,1-bis(methoxymethyl)cyclobutane?
2-chloro-1,1-bis(methoxymethyl)cyclobutane has a molecular weight of 178.66 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1-bis(methoxymethyl)cyclobutane is sourced from PubChem (CID 141062332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).