2-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-1-oxaspiro[4.4]nonane

C18H23ClO — CID 102899912

IUPAC2-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-1-oxaspiro[4.4]nonane
SMILESClC1c2ccccc2CC1CC1CCC2(CCCC2)O1
InChIInChI=1S/C18H23ClO/c19-17-14(11-13-5-1-2-6-16(13)17)12-15-7-10-18(20-15)8-3-4-9-18/h1-2,5-6,14-15,17H,3-4,7-12H2
InChIKeyWHKLWQLPUJHNJB-UHFFFAOYSA-N
MW290.83 g/mol
LogP5.02
Rot. Bonds2

About 2-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-1-oxaspiro[4.4]nonane

2-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-1-oxaspiro[4.4]nonane (PubChem CID 102899912) has the molecular formula C18H23ClO and a molecular weight of 290.83 g/mol. Its IUPAC name is 2-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-1-oxaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-1-oxaspiro[4.4]nonane
PubChem CID102899912
Molecular FormulaC18H23ClO
Molecular Weight290.83 g/mol
Exact Mass290.14
IUPAC Name2-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-1-oxaspiro[4.4]nonane
SMILESClC1c2ccccc2CC1CC1CCC2(CCCC2)O1
InChIInChI=1S/C18H23ClO/c19-17-14(11-13-5-1-2-6-16(13)17)12-15-7-10-18(20-15)8-3-4-9-18/h1-2,5-6,14-15,17H,3-4,7-12H2
InChIKeyWHKLWQLPUJHNJB-UHFFFAOYSA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.83
LogP ≤ 55.02
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-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 102899030
3-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 79219731
2-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane
CID 55091627
2-[(2-chloro-5-methylcyclohexyl)methyl]-1-oxaspiro[4.5]decane
CID 102899914
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 102897194
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole
CID 102901040
1-chloro-2-(cyclopentylmethyl)-1,2,3,4-tetrahydronaphthalene
CID 63459329
2-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-5-ethylthiophene
CID 63460569
1-chloro-2-decyl-2,3-dihydro-1H-indene
CID 63460402
2-(3-bromo-2-methyl-3-phenylpropyl)-1-oxaspiro[4.5]decane
CID 102899979
N-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)cycloheptan-1-amine
CID 102899036
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896446

Frequently Asked Questions

What is the IUPAC name of 2-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-1-oxaspiro[4.4]nonane?
The IUPAC name of 2-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-1-oxaspiro[4.4]nonane (CID 102899912) is 2-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-1-oxaspiro[4.4]nonane.
What is the SMILES notation for 2-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-1-oxaspiro[4.4]nonane?
The canonical SMILES for 2-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-1-oxaspiro[4.4]nonane is ClC1c2ccccc2CC1CC1CCC2(CCCC2)O1.
What is the InChIKey of 2-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-1-oxaspiro[4.4]nonane?
The InChIKey is WHKLWQLPUJHNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClO/c19-17-14(11-13-5-1-2-6-16(13)17)12-15-7-10-18(20-15)8-3-4-9-18/h1-2,5-6,14-15,17H,3-4,7-12H2.
What are the key properties of 2-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-1-oxaspiro[4.4]nonane?
2-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-1-oxaspiro[4.4]nonane has a molecular weight of 290.83 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-1-oxaspiro[4.4]nonane is sourced from PubChem (CID 102899912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).