5-chloro-1-methoxy-2,2-dimethylpentane

C8H17ClO — CID 165443489

IUPAC5-chloro-1-methoxy-2,2-dimethylpentane
SMILESCOCC(C)(C)CCCCl
InChIInChI=1S/C8H17ClO/c1-8(2,7-10-3)5-4-6-9/h4-7H2,1-3H3
InChIKeySFEBIEBYWZGQLG-UHFFFAOYSA-N
MW164.68 g/mol
LogP2.68
Rot. Bonds5

About 5-chloro-1-methoxy-2,2-dimethylpentane

5-chloro-1-methoxy-2,2-dimethylpentane (PubChem CID 165443489) has the molecular formula C8H17ClO and a molecular weight of 164.68 g/mol. Its IUPAC name is 5-chloro-1-methoxy-2,2-dimethylpentane.

Molecular Properties

Compound Name5-chloro-1-methoxy-2,2-dimethylpentane
PubChem CID165443489
Molecular FormulaC8H17ClO
Molecular Weight164.68 g/mol
Exact Mass164.10
IUPAC Name5-chloro-1-methoxy-2,2-dimethylpentane
SMILESCOCC(C)(C)CCCCl
InChIInChI=1S/C8H17ClO/c1-8(2,7-10-3)5-4-6-9/h4-7H2,1-3H3
InChIKeySFEBIEBYWZGQLG-UHFFFAOYSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.68
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

1-methoxy-2,2-dimethylpentane
CID 57120820
1-chloro-4,4-dimethylpentane
CID 524245
5-chloro-N,2,2-trimethylpentan-1-amine
CID 106140604
4-ethoxy-1-methoxy-2,2-dimethylbutane
CID 102175651
CID 22558579
CID 22558579
1,5-dichloro-3-(methoxymethyl)pentan-3-amine
CID 87883260
1,2-dichloro-3-methoxy-2-(methoxymethyl)propane
CID 19985339
CID 140686763
CID 140686763
4-bromo-1-chloro-4-methylpentane
CID 11344661
methyl 7-chloro-3,3-dimethylheptanoate
CID 154144868
N-(5-methoxy-4,4-dimethylpentyl)thietan-3-amine
CID 135393432
2-chloro-1,3-dimethoxy-2-methylpropane
CID 10986447

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methoxy-2,2-dimethylpentane?
The IUPAC name of 5-chloro-1-methoxy-2,2-dimethylpentane (CID 165443489) is 5-chloro-1-methoxy-2,2-dimethylpentane.
What is the SMILES notation for 5-chloro-1-methoxy-2,2-dimethylpentane?
The canonical SMILES for 5-chloro-1-methoxy-2,2-dimethylpentane is COCC(C)(C)CCCCl.
What is the InChIKey of 5-chloro-1-methoxy-2,2-dimethylpentane?
The InChIKey is SFEBIEBYWZGQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClO/c1-8(2,7-10-3)5-4-6-9/h4-7H2,1-3H3.
What are the key properties of 5-chloro-1-methoxy-2,2-dimethylpentane?
5-chloro-1-methoxy-2,2-dimethylpentane has a molecular weight of 164.68 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methoxy-2,2-dimethylpentane is sourced from PubChem (CID 165443489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).