2-(3-chloro-3-cyclopentylpropyl)-1-oxaspiro[4.4]nonane

C16H27ClO — CID 102899975

IUPAC2-(3-chloro-3-cyclopentylpropyl)-1-oxaspiro[4.4]nonane
SMILESClC(CCC1CCC2(CCCC2)O1)C1CCCC1
InChIInChI=1S/C16H27ClO/c17-15(13-5-1-2-6-13)8-7-14-9-12-16(18-14)10-3-4-11-16/h13-15H,1-12H2
InChIKeyTVJDVGUUUIMOAK-UHFFFAOYSA-N
MW270.84 g/mol
LogP5.06
Rot. Bonds4

About 2-(3-chloro-3-cyclopentylpropyl)-1-oxaspiro[4.4]nonane

2-(3-chloro-3-cyclopentylpropyl)-1-oxaspiro[4.4]nonane (PubChem CID 102899975) has the molecular formula C16H27ClO and a molecular weight of 270.84 g/mol. Its IUPAC name is 2-(3-chloro-3-cyclopentylpropyl)-1-oxaspiro[4.4]nonane.

Molecular Properties

Compound Name2-(3-chloro-3-cyclopentylpropyl)-1-oxaspiro[4.4]nonane
PubChem CID102899975
Molecular FormulaC16H27ClO
Molecular Weight270.84 g/mol
Exact Mass270.18
IUPAC Name2-(3-chloro-3-cyclopentylpropyl)-1-oxaspiro[4.4]nonane
SMILESClC(CCC1CCC2(CCCC2)O1)C1CCCC1
InChIInChI=1S/C16H27ClO/c17-15(13-5-1-2-6-13)8-7-14-9-12-16(18-14)10-3-4-11-16/h13-15H,1-12H2
InChIKeyTVJDVGUUUIMOAK-UHFFFAOYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.84
LogP ≤ 55.06
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

2-(3-chloro-4-methylpentyl)-1-oxaspiro[4.4]nonane
CID 102899905
2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol
CID 102901406
2-(3-bromopentyl)-1-oxaspiro[4.5]decane
CID 102899931
5-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)hexan-3-amine
CID 102899087
1-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-amine
CID 102901280
N-ethyl-1-(1-oxaspiro[4.4]nonan-2-yl)pentan-3-amine
CID 102898997
2-cyclopentyl-3-(1-oxaspiro[4.5]decan-2-yl)propan-1-ol
CID 102902071
2-butyl-1-oxaspiro[4.5]decane
CID 154513555
(1S)-1-cyclohexyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897605
2-(3-chloro-2-methylbutyl)-1-oxaspiro[4.5]decane
CID 102899907
1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
CID 102898990
N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentanamine
CID 102896553

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-3-cyclopentylpropyl)-1-oxaspiro[4.4]nonane?
The IUPAC name of 2-(3-chloro-3-cyclopentylpropyl)-1-oxaspiro[4.4]nonane (CID 102899975) is 2-(3-chloro-3-cyclopentylpropyl)-1-oxaspiro[4.4]nonane.
What is the SMILES notation for 2-(3-chloro-3-cyclopentylpropyl)-1-oxaspiro[4.4]nonane?
The canonical SMILES for 2-(3-chloro-3-cyclopentylpropyl)-1-oxaspiro[4.4]nonane is ClC(CCC1CCC2(CCCC2)O1)C1CCCC1.
What is the InChIKey of 2-(3-chloro-3-cyclopentylpropyl)-1-oxaspiro[4.4]nonane?
The InChIKey is TVJDVGUUUIMOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClO/c17-15(13-5-1-2-6-13)8-7-14-9-12-16(18-14)10-3-4-11-16/h13-15H,1-12H2.
What are the key properties of 2-(3-chloro-3-cyclopentylpropyl)-1-oxaspiro[4.4]nonane?
2-(3-chloro-3-cyclopentylpropyl)-1-oxaspiro[4.4]nonane has a molecular weight of 270.84 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-3-cyclopentylpropyl)-1-oxaspiro[4.4]nonane is sourced from PubChem (CID 102899975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).