(1S,5R)-5-propan-2-yl-8-oxabicyclo[3.2.1]octan-1-ol

C10H18O2 — CID 10487361

IUPAC(1S,5R)-5-propan-2-yl-8-oxabicyclo[3.2.1]octan-1-ol
SMILESCC(C)[C@@]12CCC[C@@](O)(CC1)O2
InChIInChI=1S/C10H18O2/c1-8(2)9-4-3-5-10(11,12-9)7-6-9/h8,11H,3-7H2,1-2H3/t9-,10+/m1/s1
InChIKeyWUGOOFHDZFWLCD-ZJUUUORDSA-N
MW170.25 g/mol
LogP2.06
Rot. Bonds1

About (1S,5R)-5-propan-2-yl-8-oxabicyclo[3.2.1]octan-1-ol

(1S,5R)-5-propan-2-yl-8-oxabicyclo[3.2.1]octan-1-ol (PubChem CID 10487361) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (1S,5R)-5-propan-2-yl-8-oxabicyclo[3.2.1]octan-1-ol.

Molecular Properties

Compound Name(1S,5R)-5-propan-2-yl-8-oxabicyclo[3.2.1]octan-1-ol
PubChem CID10487361
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(1S,5R)-5-propan-2-yl-8-oxabicyclo[3.2.1]octan-1-ol
SMILESCC(C)[C@@]12CCC[C@@](O)(CC1)O2
InChIInChI=1S/C10H18O2/c1-8(2)9-4-3-5-10(11,12-9)7-6-9/h8,11H,3-7H2,1-2H3/t9-,10+/m1/s1
InChIKeyWUGOOFHDZFWLCD-ZJUUUORDSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,5R)-5-propan-2-yl-8-oxabicyclo[3.2.1]octan-1-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,2R,4S)-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol
CID 134916437
(1S,5R,6R,7R)-5,7-dimethyl-6-trimethylsilyl-8-oxabicyclo[3.2.1]octan-1-ol
CID 139121325
(1S,2S,3R,6R,7R)-3,7-dimethyl-11-oxatricyclo[5.3.1.02,6]undecan-1-ol
CID 139255195
7,10-Epoxy-10-hydroxysalvianane
CID 91747154
10-Hydroxy-7,10-epoxysalvialane
CID 91750950
(4S,5S)-6,6-diethyl-2,3,4,5-tetramethyloxan-2-ol
CID 59226823
3-[(2S,5S)-5-hydroxy-1-methyl-8-oxabicyclo[3.2.1]octan-2-yl]propanenitrile
CID 70554759
(1S,2S,4R,5R)-1,2,3,4,5-pentamethyl-8-oxabicyclo[3.2.1]octan-3-ol
CID 89712753
(3R,4S,5S)-6,6-diethyl-2,3,4,5-tetramethyloxan-2-ol
CID 117933059
2,2,3-Trimethyl-8-oxabicyclo[3.2.1]octan-1-ol
CID 153835859
6-Ethyl-2-methyl-6-propan-2-yloxan-2-ol
CID 164015065
3-Methyl-1-[(5-methyl-8-oxabicyclo[3.2.1]octan-1-yl)oxy]cyclohexan-1-ol
CID 164106083

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-5-propan-2-yl-8-oxabicyclo[3.2.1]octan-1-ol?
The IUPAC name of (1S,5R)-5-propan-2-yl-8-oxabicyclo[3.2.1]octan-1-ol (CID 10487361) is (1S,5R)-5-propan-2-yl-8-oxabicyclo[3.2.1]octan-1-ol.
What is the SMILES notation for (1S,5R)-5-propan-2-yl-8-oxabicyclo[3.2.1]octan-1-ol?
The canonical SMILES for (1S,5R)-5-propan-2-yl-8-oxabicyclo[3.2.1]octan-1-ol is CC(C)[C@@]12CCC[C@@](O)(CC1)O2.
What is the InChIKey of (1S,5R)-5-propan-2-yl-8-oxabicyclo[3.2.1]octan-1-ol?
The InChIKey is WUGOOFHDZFWLCD-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)9-4-3-5-10(11,12-9)7-6-9/h8,11H,3-7H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (1S,5R)-5-propan-2-yl-8-oxabicyclo[3.2.1]octan-1-ol?
(1S,5R)-5-propan-2-yl-8-oxabicyclo[3.2.1]octan-1-ol has a molecular weight of 170.25 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-5-propan-2-yl-8-oxabicyclo[3.2.1]octan-1-ol is sourced from PubChem (CID 10487361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).