2-[[3-(chloromethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.4]nonane

C14H23ClO2 — CID 102902111

IUPAC2-[[3-(chloromethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.4]nonane
SMILESClCC1(CC2CCC3(CCCC3)O2)CCOC1
InChIInChI=1S/C14H23ClO2/c15-10-13(7-8-16-11-13)9-12-3-6-14(17-12)4-1-2-5-14/h12H,1-11H2
InChIKeyJPRHOLVXVMDBQK-UHFFFAOYSA-N
MW258.79 g/mol
LogP3.51
Rot. Bonds3

About 2-[[3-(chloromethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.4]nonane

2-[[3-(chloromethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.4]nonane (PubChem CID 102902111) has the molecular formula C14H23ClO2 and a molecular weight of 258.79 g/mol. Its IUPAC name is 2-[[3-(chloromethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[[3-(chloromethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.4]nonane
PubChem CID102902111
Molecular FormulaC14H23ClO2
Molecular Weight258.79 g/mol
Exact Mass258.14
IUPAC Name2-[[3-(chloromethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.4]nonane
SMILESClCC1(CC2CCC3(CCCC3)O2)CCOC1
InChIInChI=1S/C14H23ClO2/c15-10-13(7-8-16-11-13)9-12-3-6-14(17-12)4-1-2-5-14/h12H,1-11H2
InChIKeyJPRHOLVXVMDBQK-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane
CID 102902198
2-methoxy-N-[[3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 102900401
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
CID 102901881
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
CID 102900287
2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane
CID 102902158
2-[[1-(bromomethyl)cyclohexyl]methyl]-1-oxaspiro[4.5]decane
CID 102902155
[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol
CID 116525124
[3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]methanol
CID 102902013
[4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
CID 102901865
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 102900330
1-(5-oxaspiro[3.4]octan-6-ylmethyl)cyclopropane-1-sulfonyl chloride
CID 165490406
N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine
CID 102900766

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(chloromethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.4]nonane?
The IUPAC name of 2-[[3-(chloromethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.4]nonane (CID 102902111) is 2-[[3-(chloromethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.4]nonane.
What is the SMILES notation for 2-[[3-(chloromethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.4]nonane?
The canonical SMILES for 2-[[3-(chloromethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.4]nonane is ClCC1(CC2CCC3(CCCC3)O2)CCOC1.
What is the InChIKey of 2-[[3-(chloromethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.4]nonane?
The InChIKey is JPRHOLVXVMDBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClO2/c15-10-13(7-8-16-11-13)9-12-3-6-14(17-12)4-1-2-5-14/h12H,1-11H2.
What are the key properties of 2-[[3-(chloromethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.4]nonane?
2-[[3-(chloromethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.4]nonane has a molecular weight of 258.79 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(chloromethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.4]nonane is sourced from PubChem (CID 102902111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).