2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol

C14H26O2 — CID 102901406

IUPAC2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol
SMILESCC(CO)CCC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H26O2/c1-12(11-15)5-6-13-7-10-14(16-13)8-3-2-4-9-14/h12-13,15H,2-11H2,1H3
InChIKeyHOAGEQJXRCJPSF-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.28
Rot. Bonds4

About 2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol

2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol (PubChem CID 102901406) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol
PubChem CID102901406
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol
SMILESCC(CO)CCC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H26O2/c1-12(11-15)5-6-13-7-10-14(16-13)8-3-2-4-9-14/h12-13,15H,2-11H2,1H3
InChIKeyHOAGEQJXRCJPSF-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-methylpentyl)-1-oxaspiro[4.4]nonane
CID 102899905
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
2-butyl-1-oxaspiro[4.5]decane
CID 154513555
2-(3-chloro-3-cyclopentylpropyl)-1-oxaspiro[4.4]nonane
CID 102899975
1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
CID 102898990
N-ethyl-1-(1-oxaspiro[4.4]nonan-2-yl)pentan-3-amine
CID 102898997
2-ethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-ol
CID 102902006
2-cyclopentyl-3-(1-oxaspiro[4.5]decan-2-yl)propan-1-ol
CID 102902071
2-(3-chloro-2-methylbutyl)-1-oxaspiro[4.5]decane
CID 102899907
1-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-amine
CID 102901280
2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
CID 102901326

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol?
The IUPAC name of 2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol (CID 102901406) is 2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol.
What is the SMILES notation for 2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol?
The canonical SMILES for 2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol is CC(CO)CCC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol?
The InChIKey is HOAGEQJXRCJPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-12(11-15)5-6-13-7-10-14(16-13)8-3-2-4-9-14/h12-13,15H,2-11H2,1H3.
What are the key properties of 2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol?
2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol is sourced from PubChem (CID 102901406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).