(4,6,8,9-tetramethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol

C13H22O2 — CID 3806723

IUPAC(4,6,8,9-tetramethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
SMILESCC1=CC(C)C2(CO)COC(C)C1C2C
InChIInChI=1S/C13H22O2/c1-8-5-9(2)13(6-14)7-15-11(4)12(8)10(13)3/h5,9-12,14H,6-7H2,1-4H3
InChIKeyXECHVXPHGHIOKX-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.23
Rot. Bonds1

About (4,6,8,9-tetramethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol

(4,6,8,9-tetramethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol (PubChem CID 3806723) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (4,6,8,9-tetramethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol.

Molecular Properties

Compound Name(4,6,8,9-tetramethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
PubChem CID3806723
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(4,6,8,9-tetramethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
SMILESCC1=CC(C)C2(CO)COC(C)C1C2C
InChIInChI=1S/C13H22O2/c1-8-5-9(2)13(6-14)7-15-11(4)12(8)10(13)3/h5,9-12,14H,6-7H2,1-4H3
InChIKeyXECHVXPHGHIOKX-UHFFFAOYSA-N
XLogP2.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4,6,8,9-tetramethyl-3-oxabicyclo[3.3.1]non-6-en-1-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

(4,6,8,9-Tetramethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methyl acetate
CID 539523
(6,8,9-Trimethyl-4-propyl-3-oxabicyclo[3.3.1]non-6-enyl)methan-1-ol
CID 3110827
Methanol, [6,8,9-trimethyl-4-(1-propenyl)-3-oxabicyclo[3.3.1]non-6-en-1-yl]-
CID 5335376
Cambridge id 5611363
CID 2855385
(4,6,8-Trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methyl acetate
CID 3094324
(6,8,9-Trimethyl-4-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
CID 3110828
[6,8,9-Trimethyl-4-(1-methylethylidene)-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol
CID 3115156
(4-Hexyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
CID 2855245
2-((1S,2R,5S)-5-(hydroxymethyl)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)-2-methylpropan-1-ol
CID 16395374
Propionic acid, (3,6,7,8-tetrahydro-3,7-methano-2,4,6-trimethyl-2H-oxocin-7-yl)methyl ester
CID 583617
(2S,4R)-4-tert-butyl-5-(cyclohex-2-en-1-ylmethoxy)-2-ethyl-7,7-dimethyloctan-1-ol
CID 71199302
1-(Hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-2-ol
CID 91604062

Frequently Asked Questions

What is the IUPAC name of (4,6,8,9-tetramethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol?
The IUPAC name of (4,6,8,9-tetramethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol (CID 3806723) is (4,6,8,9-tetramethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol.
What is the SMILES notation for (4,6,8,9-tetramethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol?
The canonical SMILES for (4,6,8,9-tetramethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol is CC1=CC(C)C2(CO)COC(C)C1C2C.
What is the InChIKey of (4,6,8,9-tetramethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol?
The InChIKey is XECHVXPHGHIOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-8-5-9(2)13(6-14)7-15-11(4)12(8)10(13)3/h5,9-12,14H,6-7H2,1-4H3.
What are the key properties of (4,6,8,9-tetramethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol?
(4,6,8,9-tetramethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol has a molecular weight of 210.32 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6,8,9-tetramethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol is sourced from PubChem (CID 3806723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).