(8-methyl-1,7-dioxaspiro[4.4]nonan-2-yl)methanol

C9H16O3 — CID 131249079

IUPAC(8-methyl-1,7-dioxaspiro[4.4]nonan-2-yl)methanol
SMILESCC1CC2(CCC(CO)O2)CO1
InChIInChI=1S/C9H16O3/c1-7-4-9(6-11-7)3-2-8(5-10)12-9/h7-8,10H,2-6H2,1H3
InChIKeyOGJRWVPQODVKNR-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.71
Rot. Bonds1

About (8-methyl-1,7-dioxaspiro[4.4]nonan-2-yl)methanol

(8-methyl-1,7-dioxaspiro[4.4]nonan-2-yl)methanol (PubChem CID 131249079) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (8-methyl-1,7-dioxaspiro[4.4]nonan-2-yl)methanol.

Molecular Properties

Compound Name(8-methyl-1,7-dioxaspiro[4.4]nonan-2-yl)methanol
PubChem CID131249079
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(8-methyl-1,7-dioxaspiro[4.4]nonan-2-yl)methanol
SMILESCC1CC2(CCC(CO)O2)CO1
InChIInChI=1S/C9H16O3/c1-7-4-9(6-11-7)3-2-8(5-10)12-9/h7-8,10H,2-6H2,1H3
InChIKeyOGJRWVPQODVKNR-UHFFFAOYSA-N
XLogP0.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(iodomethyl)-7,9-dimethyl-1,8-dioxaspiro[4.5]decane
CID 130582587
1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol
CID 167731589
(5,5-difluoro-6-methyloxan-2-yl)methanol
CID 171531904
tert-butyl 6-(hydroxymethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 71762894
2-methyl-1,7-dioxaspiro[3.4]octane
CID 177019772
(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methanol
CID 22744409
5,8-dioxaspiro[3.5]nonan-7-ylmethanol
CID 155978464
2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diol
CID 102902443
[5-[5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol
CID 67621235
[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 12886254
N-[(2-methyl-5-oxaspiro[3.4]octan-6-yl)methyl]propan-2-amine
CID 130584015
(3S,5S)-3,5-dimethyloxolane-3-carboxylic acid
CID 125452595

Frequently Asked Questions

What is the IUPAC name of (8-methyl-1,7-dioxaspiro[4.4]nonan-2-yl)methanol?
The IUPAC name of (8-methyl-1,7-dioxaspiro[4.4]nonan-2-yl)methanol (CID 131249079) is (8-methyl-1,7-dioxaspiro[4.4]nonan-2-yl)methanol.
What is the SMILES notation for (8-methyl-1,7-dioxaspiro[4.4]nonan-2-yl)methanol?
The canonical SMILES for (8-methyl-1,7-dioxaspiro[4.4]nonan-2-yl)methanol is CC1CC2(CCC(CO)O2)CO1.
What is the InChIKey of (8-methyl-1,7-dioxaspiro[4.4]nonan-2-yl)methanol?
The InChIKey is OGJRWVPQODVKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-7-4-9(6-11-7)3-2-8(5-10)12-9/h7-8,10H,2-6H2,1H3.
What are the key properties of (8-methyl-1,7-dioxaspiro[4.4]nonan-2-yl)methanol?
(8-methyl-1,7-dioxaspiro[4.4]nonan-2-yl)methanol has a molecular weight of 172.22 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-1,7-dioxaspiro[4.4]nonan-2-yl)methanol is sourced from PubChem (CID 131249079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).