4,4-bis(chloromethyl)-2-methyloctane

C11H22Cl2 — CID 79448135

IUPAC4,4-bis(chloromethyl)-2-methyloctane
SMILESCCCCC(CCl)(CCl)CC(C)C
InChIInChI=1S/C11H22Cl2/c1-4-5-6-11(8-12,9-13)7-10(2)3/h10H,4-9H2,1-3H3
InChIKeyQVMCMVPFFIZVOE-UHFFFAOYSA-N
MW225.20 g/mol
LogP4.69
Rot. Bonds7

About 4,4-bis(chloromethyl)-2-methyloctane

4,4-bis(chloromethyl)-2-methyloctane (PubChem CID 79448135) has the molecular formula C11H22Cl2 and a molecular weight of 225.20 g/mol. Its IUPAC name is 4,4-bis(chloromethyl)-2-methyloctane.

Molecular Properties

Compound Name4,4-bis(chloromethyl)-2-methyloctane
PubChem CID79448135
Molecular FormulaC11H22Cl2
Molecular Weight225.20 g/mol
Exact Mass224.11
IUPAC Name4,4-bis(chloromethyl)-2-methyloctane
SMILESCCCCC(CCl)(CCl)CC(C)C
InChIInChI=1S/C11H22Cl2/c1-4-5-6-11(8-12,9-13)7-10(2)3/h10H,4-9H2,1-3H3
InChIKeyQVMCMVPFFIZVOE-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methylpropyl)nonan-5-amine
CID 88761377
2-butyl-2-ethylpropane-1,3-diol;2-ethyl-2-(2-methylpropyl)propane-1,3-diol
CID 88623677
2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol
CID 106507831
2-ethyl-N-methyl-2-(2-methylpropyl)hexan-1-amine
CID 62725827
5-(chloromethyl)-5-ethyltetradecane
CID 66036048
5-(chloromethyl)-5-ethyldodecane
CID 66036047
3,3-bis(chloromethyl)-5-methyl-1-[(2-methylpropan-2-yl)oxy]hexane
CID 112592527
2-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine
CID 55220449
6,6-dibutyl-2-methyldecane
CID 150480915
6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane
CID 157290295
4-bromo-2-methyl-4-(2-methylpropyl)octane
CID 175058351
3-(chloromethyl)-3-ethyl-1-[(2-methylpropan-2-yl)oxy]heptane
CID 112592393

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(chloromethyl)-2-methyloctane?
The IUPAC name of 4,4-bis(chloromethyl)-2-methyloctane (CID 79448135) is 4,4-bis(chloromethyl)-2-methyloctane.
What is the SMILES notation for 4,4-bis(chloromethyl)-2-methyloctane?
The canonical SMILES for 4,4-bis(chloromethyl)-2-methyloctane is CCCCC(CCl)(CCl)CC(C)C.
What is the InChIKey of 4,4-bis(chloromethyl)-2-methyloctane?
The InChIKey is QVMCMVPFFIZVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22Cl2/c1-4-5-6-11(8-12,9-13)7-10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of 4,4-bis(chloromethyl)-2-methyloctane?
4,4-bis(chloromethyl)-2-methyloctane has a molecular weight of 225.20 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(chloromethyl)-2-methyloctane is sourced from PubChem (CID 79448135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).