(1R,5R,8S)-4,4,8-trimethyl-2,3-dioxabicyclo[3.3.1]nonan-8-ol

C10H18O3 — CID 10012663

IUPAC(1R,5R,8S)-4,4,8-trimethyl-2,3-dioxabicyclo[3.3.1]nonan-8-ol
SMILESCC1(C)OO[C@@H]2C[C@H]1CC[C@]2(C)O
InChIInChI=1S/C10H18O3/c1-9(2)7-4-5-10(3,11)8(6-7)12-13-9/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m1/s1
InChIKeyWSYMCRRLBUOMNX-MRTMQBJTSA-N
MW186.25 g/mol
LogP1.65
Rot. Bonds

About (1R,5R,8S)-4,4,8-trimethyl-2,3-dioxabicyclo[3.3.1]nonan-8-ol

(1R,5R,8S)-4,4,8-trimethyl-2,3-dioxabicyclo[3.3.1]nonan-8-ol (PubChem CID 10012663) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (1R,5R,8S)-4,4,8-trimethyl-2,3-dioxabicyclo[3.3.1]nonan-8-ol.

Molecular Properties

Compound Name(1R,5R,8S)-4,4,8-trimethyl-2,3-dioxabicyclo[3.3.1]nonan-8-ol
PubChem CID10012663
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(1R,5R,8S)-4,4,8-trimethyl-2,3-dioxabicyclo[3.3.1]nonan-8-ol
SMILESCC1(C)OO[C@@H]2C[C@H]1CC[C@]2(C)O
InChIInChI=1S/C10H18O3/c1-9(2)7-4-5-10(3,11)8(6-7)12-13-9/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m1/s1
InChIKeyWSYMCRRLBUOMNX-MRTMQBJTSA-N
XLogP1.65
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,5R,8S)-4,4,8-trimethyl-2,3-dioxabicyclo[3.3.1]nonan-8-ol 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

(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 51004058
(1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 91871275
(1S,4R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
CID 101389805
5,10,14,17,17-pentamethyl-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-14-ol
CID 45028614
(2R)-1-methylcyclobutane-1,2-diol
CID 130694777
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
CID 2758
1-methylbicyclo[2.2.1]heptane-7,7-diol
CID 154099151
5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol
CID 13423312
(3S,6R)-6-methoxy-3-methyldioxan-3-ol
CID 119098312
(1S,6R,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-3-ol
CID 137322338
(1S,2S,3R,5R,6S,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-3-ol
CID 162844754
7-hydroxy-1,4,4-trimethyl-3-oxabicyclo[3.2.2]nonan-2-one
CID 130123713

Frequently Asked Questions

What is the IUPAC name of (1R,5R,8S)-4,4,8-trimethyl-2,3-dioxabicyclo[3.3.1]nonan-8-ol?
The IUPAC name of (1R,5R,8S)-4,4,8-trimethyl-2,3-dioxabicyclo[3.3.1]nonan-8-ol (CID 10012663) is (1R,5R,8S)-4,4,8-trimethyl-2,3-dioxabicyclo[3.3.1]nonan-8-ol.
What is the SMILES notation for (1R,5R,8S)-4,4,8-trimethyl-2,3-dioxabicyclo[3.3.1]nonan-8-ol?
The canonical SMILES for (1R,5R,8S)-4,4,8-trimethyl-2,3-dioxabicyclo[3.3.1]nonan-8-ol is CC1(C)OO[C@@H]2C[C@H]1CC[C@]2(C)O.
What is the InChIKey of (1R,5R,8S)-4,4,8-trimethyl-2,3-dioxabicyclo[3.3.1]nonan-8-ol?
The InChIKey is WSYMCRRLBUOMNX-MRTMQBJTSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(2)7-4-5-10(3,11)8(6-7)12-13-9/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m1/s1.
What are the key properties of (1R,5R,8S)-4,4,8-trimethyl-2,3-dioxabicyclo[3.3.1]nonan-8-ol?
(1R,5R,8S)-4,4,8-trimethyl-2,3-dioxabicyclo[3.3.1]nonan-8-ol has a molecular weight of 186.25 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,8S)-4,4,8-trimethyl-2,3-dioxabicyclo[3.3.1]nonan-8-ol is sourced from PubChem (CID 10012663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).