1-chloro-2,2-bis(methoxymethyl)-4-methylpentane

C10H21ClO2 — CID 19985334

IUPAC1-chloro-2,2-bis(methoxymethyl)-4-methylpentane
SMILESCOCC(CCl)(COC)CC(C)C
InChIInChI=1S/C10H21ClO2/c1-9(2)5-10(6-11,7-12-3)8-13-4/h9H,5-8H2,1-4H3
InChIKeyCAMLIDHCMJDBQW-UHFFFAOYSA-N
MW208.73 g/mol
LogP2.55
Rot. Bonds7

About 1-chloro-2,2-bis(methoxymethyl)-4-methylpentane

1-chloro-2,2-bis(methoxymethyl)-4-methylpentane (PubChem CID 19985334) has the molecular formula C10H21ClO2 and a molecular weight of 208.73 g/mol. Its IUPAC name is 1-chloro-2,2-bis(methoxymethyl)-4-methylpentane.

Molecular Properties

Compound Name1-chloro-2,2-bis(methoxymethyl)-4-methylpentane
PubChem CID19985334
Molecular FormulaC10H21ClO2
Molecular Weight208.73 g/mol
Exact Mass208.12
IUPAC Name1-chloro-2,2-bis(methoxymethyl)-4-methylpentane
SMILESCOCC(CCl)(COC)CC(C)C
InChIInChI=1S/C10H21ClO2/c1-9(2)5-10(6-11,7-12-3)8-13-4/h9H,5-8H2,1-4H3
InChIKeyCAMLIDHCMJDBQW-UHFFFAOYSA-N
XLogP2.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 52.55
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

4-(methoxymethoxymethyl)-4-(methoxymethyl)-2,6-dimethylheptane
CID 152544826
[2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentoxy]-trimethylsilane
CID 86607184
4-(methoxymethyl)-2,6-dimethyl-4-(prop-2-enoxymethyl)heptane
CID 19985298
ethyl-[2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentoxy]-dimethylsilane
CID 87775581
[2,2-bis(methoxymethyl)-4-methylpentyl]cyclobutane
CID 141250115
3,3-bis(chloromethyl)-5-methyl-1-[(2-methylpropan-2-yl)oxy]hexane
CID 112592527
1-chloro-2-(chloromethyl)-3-methoxy-2-(2-methoxyethoxymethyl)propane
CID 19858274
4,4-bis(chloromethyl)-2-methyloctane
CID 79448135
2-(methoxymethyl)-2-(2-methylpropyl)decan-1-amine
CID 139968873
bis(2,6-dimethyl-4,4-bis(2-methylpropyl)heptane);methane
CID 159457084
1,2-dichloro-3-methoxy-2-(methoxymethyl)propane
CID 19985339
4-[2,2-bis(chloromethyl)-4-methylpentyl]oxane
CID 79447305

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,2-bis(methoxymethyl)-4-methylpentane?
The IUPAC name of 1-chloro-2,2-bis(methoxymethyl)-4-methylpentane (CID 19985334) is 1-chloro-2,2-bis(methoxymethyl)-4-methylpentane.
What is the SMILES notation for 1-chloro-2,2-bis(methoxymethyl)-4-methylpentane?
The canonical SMILES for 1-chloro-2,2-bis(methoxymethyl)-4-methylpentane is COCC(CCl)(COC)CC(C)C.
What is the InChIKey of 1-chloro-2,2-bis(methoxymethyl)-4-methylpentane?
The InChIKey is CAMLIDHCMJDBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO2/c1-9(2)5-10(6-11,7-12-3)8-13-4/h9H,5-8H2,1-4H3.
What are the key properties of 1-chloro-2,2-bis(methoxymethyl)-4-methylpentane?
1-chloro-2,2-bis(methoxymethyl)-4-methylpentane has a molecular weight of 208.73 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,2-bis(methoxymethyl)-4-methylpentane is sourced from PubChem (CID 19985334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).