(1R,5R)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene

C10H16O — CID 11658317

IUPAC(1R,5R)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene
SMILESCC1=CC[C@@H]2C[C@H]1OC2(C)C
InChIInChI=1S/C10H16O/c1-7-4-5-8-6-9(7)11-10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1
InChIKeySKBXVAOMEVOTGJ-RKDXNWHRSA-N
MW152.24 g/mol
LogP2.52
Rot. Bonds

About (1R,5R)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene

(1R,5R)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene (PubChem CID 11658317) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R,5R)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene.

Molecular Properties

Compound Name(1R,5R)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene
PubChem CID11658317
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1R,5R)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene
SMILESCC1=CC[C@@H]2C[C@H]1OC2(C)C
InChIInChI=1S/C10H16O/c1-7-4-5-8-6-9(7)11-10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1
InChIKeySKBXVAOMEVOTGJ-RKDXNWHRSA-N
XLogP2.52
TPSA9.23 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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,5R)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene 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

Theaspirane
CID 61953
Rose oxide
CID 27866
2,2-Dimethyl-5-(1-methylpropenyl)tetrahydrofuran
CID 92002
2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran
CID 586292
Rose oxide, cis-(-)-
CID 1712087
Tetrahydro-2,2-dimethyl-5-((1Z)-1-methyl-1-propen-1-yl)furan
CID 6436627
6-Oxabicyclo(3.2.1)oct-3-ene, 4,7,7-trimethyl-
CID 101153
1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
CID 20268659
Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan, (E)-
CID 5363526
Rose oxide, trans-(-)-
CID 7093102
Rose oxide, cis-(+)-
CID 6432154
2,6,9,10-Tetramethyl-1-oxaspiro(4.5)deca-3,6-diene
CID 116740

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene?
The IUPAC name of (1R,5R)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene (CID 11658317) is (1R,5R)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene.
What is the SMILES notation for (1R,5R)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene?
The canonical SMILES for (1R,5R)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene is CC1=CC[C@@H]2C[C@H]1OC2(C)C.
What is the InChIKey of (1R,5R)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene?
The InChIKey is SKBXVAOMEVOTGJ-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H16O/c1-7-4-5-8-6-9(7)11-10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (1R,5R)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene?
(1R,5R)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene has a molecular weight of 152.24 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene is sourced from PubChem (CID 11658317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).