4-chloro-1-(3-methylbutoxy)pentane

C10H21ClO — CID 55030995

IUPAC4-chloro-1-(3-methylbutoxy)pentane
SMILESCC(C)CCOCCCC(C)Cl
InChIInChI=1S/C10H21ClO/c1-9(2)6-8-12-7-4-5-10(3)11/h9-10H,4-8H2,1-3H3
InChIKeyQWFFGMXLXHPWSA-UHFFFAOYSA-N
MW192.73 g/mol
LogP3.46
Rot. Bonds7

About 4-chloro-1-(3-methylbutoxy)pentane

4-chloro-1-(3-methylbutoxy)pentane (PubChem CID 55030995) has the molecular formula C10H21ClO and a molecular weight of 192.73 g/mol. Its IUPAC name is 4-chloro-1-(3-methylbutoxy)pentane.

Molecular Properties

Compound Name4-chloro-1-(3-methylbutoxy)pentane
PubChem CID55030995
Molecular FormulaC10H21ClO
Molecular Weight192.73 g/mol
Exact Mass192.13
IUPAC Name4-chloro-1-(3-methylbutoxy)pentane
SMILESCC(C)CCOCCCC(C)Cl
InChIInChI=1S/C10H21ClO/c1-9(2)6-8-12-7-4-5-10(3)11/h9-10H,4-8H2,1-3H3
InChIKeyQWFFGMXLXHPWSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[1-chloro-4-(3-methylbutoxy)butyl]cyclopropane
CID 63358311
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
1-(3-methoxypropoxy)-3-methylbutane
CID 18925853
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
3-methyl-1-[3-(2-methylpropoxy)propoxy]butane
CID 171414218
N-methyl-5-(3-methylbutoxy)pentan-2-amine
CID 61484601
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane
CID 161271742
5-chloro-1-ethoxyhexane
CID 64515389

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-methylbutoxy)pentane?
The IUPAC name of 4-chloro-1-(3-methylbutoxy)pentane (CID 55030995) is 4-chloro-1-(3-methylbutoxy)pentane.
What is the SMILES notation for 4-chloro-1-(3-methylbutoxy)pentane?
The canonical SMILES for 4-chloro-1-(3-methylbutoxy)pentane is CC(C)CCOCCCC(C)Cl.
What is the InChIKey of 4-chloro-1-(3-methylbutoxy)pentane?
The InChIKey is QWFFGMXLXHPWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO/c1-9(2)6-8-12-7-4-5-10(3)11/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-chloro-1-(3-methylbutoxy)pentane?
4-chloro-1-(3-methylbutoxy)pentane 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 4-chloro-1-(3-methylbutoxy)pentane is sourced from PubChem (CID 55030995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).