1-chloro-5-[(2-methylpropan-2-yl)oxy]pentane

C9H19ClO — CID 638111

IUPAC1-chloro-5-[(2-methylpropan-2-yl)oxy]pentane
SMILESCC(C)(C)OCCCCCCl
InChIInChI=1S/C9H19ClO/c1-9(2,3)11-8-6-4-5-7-10/h4-8H2,1-3H3
InChIKeyCCPFLACYTFJYIX-UHFFFAOYSA-N
MW178.70 g/mol
LogP3.21
Rot. Bonds5

About 1-chloro-5-[(2-methylpropan-2-yl)oxy]pentane

1-chloro-5-[(2-methylpropan-2-yl)oxy]pentane (PubChem CID 638111) has the molecular formula C9H19ClO and a molecular weight of 178.70 g/mol. Its IUPAC name is 1-chloro-5-[(2-methylpropan-2-yl)oxy]pentane.

Molecular Properties

Compound Name1-chloro-5-[(2-methylpropan-2-yl)oxy]pentane
PubChem CID638111
Molecular FormulaC9H19ClO
Molecular Weight178.70 g/mol
Exact Mass178.11
IUPAC Name1-chloro-5-[(2-methylpropan-2-yl)oxy]pentane
SMILESCC(C)(C)OCCCCCCl
InChIInChI=1S/C9H19ClO/c1-9(2,3)11-8-6-4-5-7-10/h4-8H2,1-3H3
InChIKeyCCPFLACYTFJYIX-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.70
LogP ≤ 53.21
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-(tert-Butoxy)-4-chlorobutane
CID 11321152
Butylchloromethyl ether
CID 19002436
1-tert-Butoxy-6-chlorohexane
CID 13280698
1-Chloro-8-[(2-methylpropan-2-yl)oxy]octane
CID 14157602
1-Chloro-5-pentan-3-yloxyhexane
CID 135044661
1-Chloro-5-methoxy-5-methylhexane
CID 55301508
1-Butan-2-yloxy-6-chlorohexane
CID 62227250
1-Chloro-5-ethoxyheptane
CID 13924081
1-Chloro-7-[(2-methylpropan-2-yl)oxy]heptane
CID 14310954
1-Chloro-9-[(2-methylpropan-2-yl)oxy]nonane
CID 14428031
1-Chloro-5-propoxypentane
CID 18001885
1-Chloro-5-butoxypentane
CID 18001954

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-[(2-methylpropan-2-yl)oxy]pentane?
The IUPAC name of 1-chloro-5-[(2-methylpropan-2-yl)oxy]pentane (CID 638111) is 1-chloro-5-[(2-methylpropan-2-yl)oxy]pentane.
What is the SMILES notation for 1-chloro-5-[(2-methylpropan-2-yl)oxy]pentane?
The canonical SMILES for 1-chloro-5-[(2-methylpropan-2-yl)oxy]pentane is CC(C)(C)OCCCCCCl.
What is the InChIKey of 1-chloro-5-[(2-methylpropan-2-yl)oxy]pentane?
The InChIKey is CCPFLACYTFJYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClO/c1-9(2,3)11-8-6-4-5-7-10/h4-8H2,1-3H3.
What are the key properties of 1-chloro-5-[(2-methylpropan-2-yl)oxy]pentane?
1-chloro-5-[(2-methylpropan-2-yl)oxy]pentane has a molecular weight of 178.70 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-[(2-methylpropan-2-yl)oxy]pentane is sourced from PubChem (CID 638111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).