1-(2,8,8-trimethyl-6-oxabicyclo[3.2.1]oct-2-en-7-yl)propan-2-ol

C13H22O2 — CID 71439484

IUPAC1-(2,8,8-trimethyl-6-oxabicyclo[3.2.1]oct-2-en-7-yl)propan-2-ol
SMILESCC1=CCC2OC(CC(C)O)C1C2(C)C
InChIInChI=1S/C13H22O2/c1-8-5-6-11-13(3,4)12(8)10(15-11)7-9(2)14/h5,9-12,14H,6-7H2,1-4H3
InChIKeyOZZOZTROQHNWBJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.52
Rot. Bonds2

About 1-(2,8,8-trimethyl-6-oxabicyclo[3.2.1]oct-2-en-7-yl)propan-2-ol

1-(2,8,8-trimethyl-6-oxabicyclo[3.2.1]oct-2-en-7-yl)propan-2-ol (PubChem CID 71439484) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(2,8,8-trimethyl-6-oxabicyclo[3.2.1]oct-2-en-7-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,8,8-trimethyl-6-oxabicyclo[3.2.1]oct-2-en-7-yl)propan-2-ol
PubChem CID71439484
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1-(2,8,8-trimethyl-6-oxabicyclo[3.2.1]oct-2-en-7-yl)propan-2-ol
SMILESCC1=CCC2OC(CC(C)O)C1C2(C)C
InChIInChI=1S/C13H22O2/c1-8-5-6-11-13(3,4)12(8)10(15-11)7-9(2)14/h5,9-12,14H,6-7H2,1-4H3
InChIKeyOZZOZTROQHNWBJ-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,8,8-trimethyl-6-oxabicyclo[3.2.1]oct-2-en-7-yl)propan-2-ol with MolForge

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Related Compounds

Sandalore
CID 103212
2-Cyclohexene-1-propanol, alpha,2,6,6-tetramethyl-
CID 166894
2-Hydroxytrichodiene
CID 122706455
alpha,beta,2,6,6-Pentamethylcyclohex-2-ene-1-propan-1-ol
CID 25076551
[(1S,5R)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-1-yl]methanol
CID 127040907
(1R,5R,10R)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-7-en-10-ol
CID 15894372
(-)-(2S,3S,4S,6S,7S)-tremul-1(10)-ene-4,11,12-triol
CID 46872581
(2R)-4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-ol
CID 92279408
Neodolabellane
CID 162965119
(6,8,9-Trimethyl-4-propyl-3-oxabicyclo[3.3.1]non-6-enyl)methan-1-ol
CID 3110827
(+)-Bottrospicatol
CID 157009751
(6,8,9-Trimethyl-4-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
CID 3110828

Frequently Asked Questions

What is the IUPAC name of 1-(2,8,8-trimethyl-6-oxabicyclo[3.2.1]oct-2-en-7-yl)propan-2-ol?
The IUPAC name of 1-(2,8,8-trimethyl-6-oxabicyclo[3.2.1]oct-2-en-7-yl)propan-2-ol (CID 71439484) is 1-(2,8,8-trimethyl-6-oxabicyclo[3.2.1]oct-2-en-7-yl)propan-2-ol.
What is the SMILES notation for 1-(2,8,8-trimethyl-6-oxabicyclo[3.2.1]oct-2-en-7-yl)propan-2-ol?
The canonical SMILES for 1-(2,8,8-trimethyl-6-oxabicyclo[3.2.1]oct-2-en-7-yl)propan-2-ol is CC1=CCC2OC(CC(C)O)C1C2(C)C.
What is the InChIKey of 1-(2,8,8-trimethyl-6-oxabicyclo[3.2.1]oct-2-en-7-yl)propan-2-ol?
The InChIKey is OZZOZTROQHNWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-8-5-6-11-13(3,4)12(8)10(15-11)7-9(2)14/h5,9-12,14H,6-7H2,1-4H3.
What are the key properties of 1-(2,8,8-trimethyl-6-oxabicyclo[3.2.1]oct-2-en-7-yl)propan-2-ol?
1-(2,8,8-trimethyl-6-oxabicyclo[3.2.1]oct-2-en-7-yl)propan-2-ol has a molecular weight of 210.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,8,8-trimethyl-6-oxabicyclo[3.2.1]oct-2-en-7-yl)propan-2-ol is sourced from PubChem (CID 71439484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).