(1R,3R,5R,7R)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane

C10H16O — CID 98083759

IUPAC(1R,3R,5R,7R)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane
SMILESCC1(C)[C@@H]2C[C@H]3O[C@]3(C)C[C@H]21
InChIInChI=1S/C10H16O/c1-9(2)6-4-8-10(3,11-8)5-7(6)9/h6-8H,4-5H2,1-3H3/t6-,7-,8-,10-/m1/s1
InChIKeyAGHSZSJVJPSERC-FDDDBJFASA-N
MW152.24 g/mol
LogP2.21
Rot. Bonds

About (1R,3R,5R,7R)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane

(1R,3R,5R,7R)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane (PubChem CID 98083759) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R,3R,5R,7R)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane.

Molecular Properties

Compound Name(1R,3R,5R,7R)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane
PubChem CID98083759
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1R,3R,5R,7R)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane
SMILESCC1(C)[C@@H]2C[C@H]3O[C@]3(C)C[C@H]21
InChIInChI=1S/C10H16O/c1-9(2)6-4-8-10(3,11-8)5-7(6)9/h6-8H,4-5H2,1-3H3/t6-,7-,8-,10-/m1/s1
InChIKeyAGHSZSJVJPSERC-FDDDBJFASA-N
XLogP2.21
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,3R,5R,7R)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane with MolForge

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Related Compounds

(1S,3S,4S,6S)-3,4-dibromo-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 99952725
(1R,3R,4R,6S)-3,4-dibromo-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 98553630
(1R)-1-methyl-2-oxabicyclo[1.1.0]butane
CID 173021460
(1S,3R,5S,7R)-3,12,12-trimethyl-8-methylidene-4-oxatricyclo[5.5.0.03,5]dodecane
CID 102243857
(1S,6S)-4,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
CID 169187540
trimethyl-[[(1S,3R,5R)-1-methyl-6-oxabicyclo[3.1.0]hexan-3-yl]methyl]azanium bromide
CID 10354714
(1S,3R,5R)-N,N,1-trimethyl-6-oxabicyclo[3.1.0]hexane-3-carboxamide
CID 10103561
2,3,5,5,8,8,9,9,12,12-decamethyl-1,2,3,4,4a,5a,6,6a,7,10,10a,11,11a,12a-tetradecahydrotetracene
CID 22894527
3,4-dibromo-3,7,7-trimethylbicyclo[4.1.0]heptane
CID 13148708
(1S,3S,5R,7R)-8-bromo-1,4,4-trimethyltricyclo[5.1.0.03,5]octane
CID 134888977
(1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol
CID 23268227
4-iodo-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 72796713

Frequently Asked Questions

What is the IUPAC name of (1R,3R,5R,7R)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane?
The IUPAC name of (1R,3R,5R,7R)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane (CID 98083759) is (1R,3R,5R,7R)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane.
What is the SMILES notation for (1R,3R,5R,7R)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane?
The canonical SMILES for (1R,3R,5R,7R)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane is CC1(C)[C@@H]2C[C@H]3O[C@]3(C)C[C@H]21.
What is the InChIKey of (1R,3R,5R,7R)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane?
The InChIKey is AGHSZSJVJPSERC-FDDDBJFASA-N. The full InChI is InChI=1S/C10H16O/c1-9(2)6-4-8-10(3,11-8)5-7(6)9/h6-8H,4-5H2,1-3H3/t6-,7-,8-,10-/m1/s1.
What are the key properties of (1R,3R,5R,7R)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane?
(1R,3R,5R,7R)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane has a molecular weight of 152.24 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5R,7R)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane is sourced from PubChem (CID 98083759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).