3-(chloromethyl)-1-propan-2-yloxyhexane

C10H21ClO — CID 66035666

IUPAC3-(chloromethyl)-1-propan-2-yloxyhexane
SMILESCCCC(CCl)CCOC(C)C
InChIInChI=1S/C10H21ClO/c1-4-5-10(8-11)6-7-12-9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyMDMYSDFVTXKLPP-UHFFFAOYSA-N
MW192.73 g/mol
LogP3.46
Rot. Bonds7

About 3-(chloromethyl)-1-propan-2-yloxyhexane

3-(chloromethyl)-1-propan-2-yloxyhexane (PubChem CID 66035666) has the molecular formula C10H21ClO and a molecular weight of 192.73 g/mol. Its IUPAC name is 3-(chloromethyl)-1-propan-2-yloxyhexane.

Molecular Properties

Compound Name3-(chloromethyl)-1-propan-2-yloxyhexane
PubChem CID66035666
Molecular FormulaC10H21ClO
Molecular Weight192.73 g/mol
Exact Mass192.13
IUPAC Name3-(chloromethyl)-1-propan-2-yloxyhexane
SMILESCCCC(CCl)CCOC(C)C
InChIInChI=1S/C10H21ClO/c1-4-5-10(8-11)6-7-12-9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyMDMYSDFVTXKLPP-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.73
LogP ≤ 53.46
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

N-methyl-2-(2-propan-2-yloxyethyl)pentan-1-amine
CID 62528925
2-(2-propan-2-yloxyethyl)propane-1,3-diol
CID 79450702
2-ethyl-4-propan-2-yloxybutan-1-amine
CID 62505912
4-(chloromethyl)tridecane
CID 66033644
3-ethyl-1-(1-methoxyethoxy)hexane
CID 145144290
2-(propan-2-yloxymethyl)pentan-1-ol
CID 123951755
4-(chloromethyl)-2-methoxy-2-methylheptane
CID 165445702
4-methyl-2-(2-propan-2-yloxyethyl)pentan-1-ol
CID 66060463
4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-(chloromethyl)butane
CID 113427643
1-propan-2-yloxybutane;zirconium
CID 174617524
methane;1-propan-2-yloxybutane
CID 158518476
ethyl (2R)-2-methyl-4-propan-2-yloxybutanoate
CID 134571182

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-propan-2-yloxyhexane?
The IUPAC name of 3-(chloromethyl)-1-propan-2-yloxyhexane (CID 66035666) is 3-(chloromethyl)-1-propan-2-yloxyhexane.
What is the SMILES notation for 3-(chloromethyl)-1-propan-2-yloxyhexane?
The canonical SMILES for 3-(chloromethyl)-1-propan-2-yloxyhexane is CCCC(CCl)CCOC(C)C.
What is the InChIKey of 3-(chloromethyl)-1-propan-2-yloxyhexane?
The InChIKey is MDMYSDFVTXKLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO/c1-4-5-10(8-11)6-7-12-9(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-(chloromethyl)-1-propan-2-yloxyhexane?
3-(chloromethyl)-1-propan-2-yloxyhexane has a molecular weight of 192.73 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-propan-2-yloxyhexane is sourced from PubChem (CID 66035666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).