3-[chloro-[(2-methylpropan-2-yl)oxy]methyl]pentane

C10H21ClO — CID 23124490

IUPAC3-[chloro-[(2-methylpropan-2-yl)oxy]methyl]pentane
SMILESCCC(CC)C(Cl)OC(C)(C)C
InChIInChI=1S/C10H21ClO/c1-6-8(7-2)9(11)12-10(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyHVIJTMANGXXICW-UHFFFAOYSA-N
MW192.73 g/mol
LogP3.80
Rot. Bonds4

About 3-[chloro-[(2-methylpropan-2-yl)oxy]methyl]pentane

3-[chloro-[(2-methylpropan-2-yl)oxy]methyl]pentane (PubChem CID 23124490) has the molecular formula C10H21ClO and a molecular weight of 192.73 g/mol. Its IUPAC name is 3-[chloro-[(2-methylpropan-2-yl)oxy]methyl]pentane.

Molecular Properties

Compound Name3-[chloro-[(2-methylpropan-2-yl)oxy]methyl]pentane
PubChem CID23124490
Molecular FormulaC10H21ClO
Molecular Weight192.73 g/mol
Exact Mass192.13
IUPAC Name3-[chloro-[(2-methylpropan-2-yl)oxy]methyl]pentane
SMILESCCC(CC)C(Cl)OC(C)(C)C
InChIInChI=1S/C10H21ClO/c1-6-8(7-2)9(11)12-10(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyHVIJTMANGXXICW-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.73
LogP ≤ 53.80
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

Tert-butyl 5-chloropentyl ether
CID 638111
1-(tert-Butoxy)-4-chlorobutane
CID 11321152
bis(2-Chloroisopropyl) Ather
CID 129637806
1-Chloro-4-methoxy-4-methylhexane
CID 55301507
2-Chloro-4-methoxy-3-methylpentane
CID 85536139
4-(5-Chloropentoxymethyl)-2-methylhexane
CID 13748137
1,6-Dichloro-3,4-bis(2-chloroethyl)-3-ethoxyhexane
CID 19750946
1-Chloro-4-(1,1-dimethylethoxy)pentane
CID 21501206
1-Chloro-3-methyl-5-propan-2-yloxypentane
CID 21515989
2-(3-Chloro-2-methylpropoxy)-2-methylbutane
CID 22568271
3-[Chloro(2-methylbutan-2-yloxy)methyl]pentane
CID 23124336
3-[Chloro(2-methylpropoxy)methyl]pentane
CID 23124338

Frequently Asked Questions

What is the IUPAC name of 3-[chloro-[(2-methylpropan-2-yl)oxy]methyl]pentane?
The IUPAC name of 3-[chloro-[(2-methylpropan-2-yl)oxy]methyl]pentane (CID 23124490) is 3-[chloro-[(2-methylpropan-2-yl)oxy]methyl]pentane.
What is the SMILES notation for 3-[chloro-[(2-methylpropan-2-yl)oxy]methyl]pentane?
The canonical SMILES for 3-[chloro-[(2-methylpropan-2-yl)oxy]methyl]pentane is CCC(CC)C(Cl)OC(C)(C)C.
What is the InChIKey of 3-[chloro-[(2-methylpropan-2-yl)oxy]methyl]pentane?
The InChIKey is HVIJTMANGXXICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO/c1-6-8(7-2)9(11)12-10(3,4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 3-[chloro-[(2-methylpropan-2-yl)oxy]methyl]pentane?
3-[chloro-[(2-methylpropan-2-yl)oxy]methyl]pentane has a molecular weight of 192.73 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-[(2-methylpropan-2-yl)oxy]methyl]pentane is sourced from PubChem (CID 23124490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).