4,8,8-trimethyl-3-oxatricyclo[5.1.0.02,4]octan-5-ol

C10H16O2 — CID 130145168

IUPAC4,8,8-trimethyl-3-oxatricyclo[5.1.0.02,4]octan-5-ol
SMILESCC1(C)C2CC(O)C3(C)OC3C21
InChIInChI=1S/C10H16O2/c1-9(2)5-4-6(11)10(3)8(12-10)7(5)9/h5-8,11H,4H2,1-3H3
InChIKeyLOHCFRDCTDPSPG-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.18
Rot. Bonds

About 4,8,8-trimethyl-3-oxatricyclo[5.1.0.02,4]octan-5-ol

4,8,8-trimethyl-3-oxatricyclo[5.1.0.02,4]octan-5-ol (PubChem CID 130145168) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4,8,8-trimethyl-3-oxatricyclo[5.1.0.02,4]octan-5-ol.

Molecular Properties

Compound Name4,8,8-trimethyl-3-oxatricyclo[5.1.0.02,4]octan-5-ol
PubChem CID130145168
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4,8,8-trimethyl-3-oxatricyclo[5.1.0.02,4]octan-5-ol
SMILESCC1(C)C2CC(O)C3(C)OC3C21
InChIInChI=1S/C10H16O2/c1-9(2)5-4-6(11)10(3)8(12-10)7(5)9/h5-8,11H,4H2,1-3H3
InChIKeyLOHCFRDCTDPSPG-UHFFFAOYSA-N
XLogP1.18
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1R,2R,5S,6S)-2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octan-5-ol
CID 126695105
[(1S,2R,3R,5R,7R)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octan-2-yl] acetate
CID 23268321
(1S,4S,5R,6S,10R,11R,15R)-4,5,6-trihydroxy-3,7,12,12,15-pentamethyl-8-oxapentacyclo[8.5.1.01,5.07,9.011,13]hexadec-2-en-16-one
CID 146578213
(3R,4S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-3-ol
CID 22297359
(1S,3S,4S,6S,7R)-3-methyl-10-methylidene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol
CID 46886737
3,3,6,6-tetramethylbicyclo[3.1.0]hexan-2-ol
CID 15025025
2-azido-2,6,6-trimethylbicyclo[3.1.0]hexan-3-ol
CID 59730591
[(1R,3R,4S,6S,7R,11R)-3-hydroxy-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-yl] acetate
CID 177398832
1-[(1aR,2R,3aS,4R,6aR,6bS)-2-hydroxy-1a,4-dimethyl-3,3a,4,5,6,6b-hexahydro-2H-indeno[4,5-b]oxiren-6a-yl]-2-methylpropan-1-one
CID 162918249
(3R)-2,2-dimethyloxolan-3-ol
CID 13327311
cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol
CID 97300410
1-methyltricyclo[2.1.0.02,5]pentane
CID 86129037

Frequently Asked Questions

What is the IUPAC name of 4,8,8-trimethyl-3-oxatricyclo[5.1.0.02,4]octan-5-ol?
The IUPAC name of 4,8,8-trimethyl-3-oxatricyclo[5.1.0.02,4]octan-5-ol (CID 130145168) is 4,8,8-trimethyl-3-oxatricyclo[5.1.0.02,4]octan-5-ol.
What is the SMILES notation for 4,8,8-trimethyl-3-oxatricyclo[5.1.0.02,4]octan-5-ol?
The canonical SMILES for 4,8,8-trimethyl-3-oxatricyclo[5.1.0.02,4]octan-5-ol is CC1(C)C2CC(O)C3(C)OC3C21.
What is the InChIKey of 4,8,8-trimethyl-3-oxatricyclo[5.1.0.02,4]octan-5-ol?
The InChIKey is LOHCFRDCTDPSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(2)5-4-6(11)10(3)8(12-10)7(5)9/h5-8,11H,4H2,1-3H3.
What are the key properties of 4,8,8-trimethyl-3-oxatricyclo[5.1.0.02,4]octan-5-ol?
4,8,8-trimethyl-3-oxatricyclo[5.1.0.02,4]octan-5-ol has a molecular weight of 168.24 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,8-trimethyl-3-oxatricyclo[5.1.0.02,4]octan-5-ol is sourced from PubChem (CID 130145168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).