2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diol

C13H24O3 — CID 102902443

IUPAC2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diol
SMILESCC(CO)(CO)CC1CCC2(CCCC2)O1
InChIInChI=1S/C13H24O3/c1-12(9-14,10-15)8-11-4-7-13(16-11)5-2-3-6-13/h11,14-15H,2-10H2,1H3
InChIKeyWSVDYOBKZSLFSP-UHFFFAOYSA-N
MW228.33 g/mol
LogP1.86
Rot. Bonds4

About 2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diol

2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diol (PubChem CID 102902443) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diol
PubChem CID102902443
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diol
SMILESCC(CO)(CO)CC1CCC2(CCCC2)O1
InChIInChI=1S/C13H24O3/c1-12(9-14,10-15)8-11-4-7-13(16-11)5-2-3-6-13/h11,14-15H,2-10H2,1H3
InChIKeyWSVDYOBKZSLFSP-UHFFFAOYSA-N
XLogP1.86
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(hydroxymethyl)-2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)propyl]carbamate
CID 106508716
2-ethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-ol
CID 102902006
N-ethyl-2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900369
2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propane-1,3-diol
CID 102897666
2-(3-chloro-2,2-dimethylpropyl)-1-oxaspiro[4.5]decane
CID 102902077
2-ethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propane-1,3-diol
CID 107865302
2-(4-bromo-2,2-dimethylpentyl)-1-oxaspiro[4.4]nonane
CID 102901466
2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102896742
2-ethyl-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)propane-1,3-diol
CID 107865527
2-[2-(chloromethyl)-2-methylbut-3-enyl]-1-oxaspiro[4.5]decane
CID 102902372
2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
CID 102896955
N-ethyl-2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)but-3-en-1-amine
CID 102900563

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diol?
The IUPAC name of 2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diol (CID 102902443) is 2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diol?
The canonical SMILES for 2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diol is CC(CO)(CO)CC1CCC2(CCCC2)O1.
What is the InChIKey of 2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diol?
The InChIKey is WSVDYOBKZSLFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-12(9-14,10-15)8-11-4-7-13(16-11)5-2-3-6-13/h11,14-15H,2-10H2,1H3.
What are the key properties of 2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diol?
2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diol has a molecular weight of 228.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diol is sourced from PubChem (CID 102902443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).