1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane

C11H21ClO — CID 112591267

IUPAC1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane
SMILESCC(C)(C)OCCC1CCCC1Cl
InChIInChI=1S/C11H21ClO/c1-11(2,3)13-8-7-9-5-4-6-10(9)12/h9-10H,4-8H2,1-3H3
InChIKeySIOROKYKJYAFQW-UHFFFAOYSA-N
MW204.74 g/mol
LogP3.60
Rot. Bonds3

About 1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane

1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane (PubChem CID 112591267) has the molecular formula C11H21ClO and a molecular weight of 204.74 g/mol. Its IUPAC name is 1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane.

Molecular Properties

Compound Name1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane
PubChem CID112591267
Molecular FormulaC11H21ClO
Molecular Weight204.74 g/mol
Exact Mass204.13
IUPAC Name1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane
SMILESCC(C)(C)OCCC1CCCC1Cl
InChIInChI=1S/C11H21ClO/c1-11(2,3)13-8-7-9-5-4-6-10(9)12/h9-10H,4-8H2,1-3H3
InChIKeySIOROKYKJYAFQW-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 53.60
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

1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane
CID 112591275
N-[(2-chlorocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112591784
2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclopentan-1-ol
CID 112588831
4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
CID 112590509
2-[(1R,2S)-2-chlorocyclohexyl]ethanamine
CID 97304641
2-(2-chlorocyclohexyl)ethanamine
CID 53423115
3-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-ol
CID 114451772
2-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 10797616
1-chloro-2-(3-methylbutyl)cycloheptane
CID 63459310
2-(1-bromo-2-methylpropan-2-yl)oxyethylcyclobutane
CID 106204818
3-(2-chlorocyclopentyl)propoxybenzene
CID 63461824
3-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine
CID 112592567

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane?
The IUPAC name of 1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane (CID 112591267) is 1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane.
What is the SMILES notation for 1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane?
The canonical SMILES for 1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane is CC(C)(C)OCCC1CCCC1Cl.
What is the InChIKey of 1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane?
The InChIKey is SIOROKYKJYAFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO/c1-11(2,3)13-8-7-9-5-4-6-10(9)12/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane?
1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane has a molecular weight of 204.74 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane is sourced from PubChem (CID 112591267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).