[(7R,8R)-7-methyl-1,4-dioxaspiro[4.4]nonan-8-yl]methanol

C9H16O3 — CID 13089485

IUPAC[(7R,8R)-7-methyl-1,4-dioxaspiro[4.4]nonan-8-yl]methanol
SMILESC[C@@H]1CC2(C[C@H]1CO)OCCO2
InChIInChI=1S/C9H16O3/c1-7-4-9(5-8(7)6-10)11-2-3-12-9/h7-8,10H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyDQWNQNVNPRKMCJ-SFYZADRCSA-N
MW172.22 g/mol
LogP0.77
Rot. Bonds1

About [(7R,8R)-7-methyl-1,4-dioxaspiro[4.4]nonan-8-yl]methanol

[(7R,8R)-7-methyl-1,4-dioxaspiro[4.4]nonan-8-yl]methanol (PubChem CID 13089485) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is [(7R,8R)-7-methyl-1,4-dioxaspiro[4.4]nonan-8-yl]methanol.

Molecular Properties

Compound Name[(7R,8R)-7-methyl-1,4-dioxaspiro[4.4]nonan-8-yl]methanol
PubChem CID13089485
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name[(7R,8R)-7-methyl-1,4-dioxaspiro[4.4]nonan-8-yl]methanol
SMILESC[C@@H]1CC2(C[C@H]1CO)OCCO2
InChIInChI=1S/C9H16O3/c1-7-4-9(5-8(7)6-10)11-2-3-12-9/h7-8,10H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyDQWNQNVNPRKMCJ-SFYZADRCSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(7R,8R)-7-methyl-1,4-dioxaspiro[4.4]nonan-8-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(7R,9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol
CID 94037522
acetic acid;[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol
CID 71335460
7,9-dimethyl-1,4-dioxaspiro[4.5]decane
CID 23529851
[(1S,2S)-2-methylcyclopropyl]methanol
CID 7869082
(4-methyloxolan-3-yl)methanol
CID 53402099
[(3R,4S)-4-methyloxolan-3-yl]methanol
CID 95165244
7,8-ditert-butyl-1,4-dioxaspiro[4.4]nonane
CID 130396664
2-tert-butyl-5,8-dioxaspiro[3.4]octane
CID 138672396
(5-amino-2,2-dimethyloxan-4-yl)methanol
CID 162343129
ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate
CID 86713762
(7R,9S)-8-benzyl-7,9-diethyl-1,4-dioxaspiro[4.5]decane
CID 58916984
[(2S,3R)-2,3,4,4-tetramethylcyclopentyl]methanol
CID 130763803

Frequently Asked Questions

What is the IUPAC name of [(7R,8R)-7-methyl-1,4-dioxaspiro[4.4]nonan-8-yl]methanol?
The IUPAC name of [(7R,8R)-7-methyl-1,4-dioxaspiro[4.4]nonan-8-yl]methanol (CID 13089485) is [(7R,8R)-7-methyl-1,4-dioxaspiro[4.4]nonan-8-yl]methanol.
What is the SMILES notation for [(7R,8R)-7-methyl-1,4-dioxaspiro[4.4]nonan-8-yl]methanol?
The canonical SMILES for [(7R,8R)-7-methyl-1,4-dioxaspiro[4.4]nonan-8-yl]methanol is C[C@@H]1CC2(C[C@H]1CO)OCCO2.
What is the InChIKey of [(7R,8R)-7-methyl-1,4-dioxaspiro[4.4]nonan-8-yl]methanol?
The InChIKey is DQWNQNVNPRKMCJ-SFYZADRCSA-N. The full InChI is InChI=1S/C9H16O3/c1-7-4-9(5-8(7)6-10)11-2-3-12-9/h7-8,10H,2-6H2,1H3/t7-,8+/m1/s1.
What are the key properties of [(7R,8R)-7-methyl-1,4-dioxaspiro[4.4]nonan-8-yl]methanol?
[(7R,8R)-7-methyl-1,4-dioxaspiro[4.4]nonan-8-yl]methanol has a molecular weight of 172.22 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R,8R)-7-methyl-1,4-dioxaspiro[4.4]nonan-8-yl]methanol is sourced from PubChem (CID 13089485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).