3-(chloromethyl)-3-ethyl-5-methylheptane

C11H23Cl — CID 66034267

IUPAC3-(chloromethyl)-3-ethyl-5-methylheptane
SMILESCCC(C)CC(CC)(CC)CCl
InChIInChI=1S/C11H23Cl/c1-5-10(4)8-11(6-2,7-3)9-12/h10H,5-9H2,1-4H3
InChIKeyTYZMNSHLLBIKCZ-UHFFFAOYSA-N
MW190.76 g/mol
LogP4.47
Rot. Bonds6

About 3-(chloromethyl)-3-ethyl-5-methylheptane

3-(chloromethyl)-3-ethyl-5-methylheptane (PubChem CID 66034267) has the molecular formula C11H23Cl and a molecular weight of 190.76 g/mol. Its IUPAC name is 3-(chloromethyl)-3-ethyl-5-methylheptane.

Molecular Properties

Compound Name3-(chloromethyl)-3-ethyl-5-methylheptane
PubChem CID66034267
Molecular FormulaC11H23Cl
Molecular Weight190.76 g/mol
Exact Mass190.15
IUPAC Name3-(chloromethyl)-3-ethyl-5-methylheptane
SMILESCCC(C)CC(CC)(CC)CCl
InChIInChI=1S/C11H23Cl/c1-5-10(4)8-11(6-2,7-3)9-12/h10H,5-9H2,1-4H3
InChIKeyTYZMNSHLLBIKCZ-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.76
LogP ≤ 54.47
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-ethyl-3-methyl-5-propyloctane
CID 57492740
N-[2-(chloromethyl)-2-ethylbutyl]-3-methylpentanamide
CID 106254168
3-fluoro-3,5-dimethylheptane
CID 123257807
3-ethyl-3,5-dimethylheptane;methane
CID 167702557
[4-methyl-2-(phosphanylmethyl)-2-propylhexyl]phosphane
CID 58351252
3-ethyl-3,4,4,6-tetramethyloctane
CID 57492408
3,3-diethylpentane;3-methylhexane;3-methylpentane
CID 160955988
2,2-dimethylbutane;2,3-dimethylbutane;3-methylpentane
CID 159848949
methane;2,2,4-trimethylhexane
CID 159659116
1,1,1-trifluoro-3-methylpentane
CID 21020397
azane;2,2,4-trimethylhexane
CID 87634842
3,3-bis(chloromethyl)-1-propan-2-yloxypentane
CID 79447328

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-3-ethyl-5-methylheptane?
The IUPAC name of 3-(chloromethyl)-3-ethyl-5-methylheptane (CID 66034267) is 3-(chloromethyl)-3-ethyl-5-methylheptane.
What is the SMILES notation for 3-(chloromethyl)-3-ethyl-5-methylheptane?
The canonical SMILES for 3-(chloromethyl)-3-ethyl-5-methylheptane is CCC(C)CC(CC)(CC)CCl.
What is the InChIKey of 3-(chloromethyl)-3-ethyl-5-methylheptane?
The InChIKey is TYZMNSHLLBIKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23Cl/c1-5-10(4)8-11(6-2,7-3)9-12/h10H,5-9H2,1-4H3.
What are the key properties of 3-(chloromethyl)-3-ethyl-5-methylheptane?
3-(chloromethyl)-3-ethyl-5-methylheptane has a molecular weight of 190.76 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-3-ethyl-5-methylheptane is sourced from PubChem (CID 66034267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).