(1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene

C15H24O — CID 12900740

IUPAC(1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
SMILESC/C/1=C\CC(/C=C/C[C@@]2([C@@H](O2)CC1)C)(C)C
InChIInChI=1S/C15H24O/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5+,12-8+/t13-,15+/m0/s1
InChIKeyQTGAEXCCAPTGLB-RWRNEBBCSA-N
MW220.35 g/mol
LogP3.80
Rot. Bonds

About (1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene

(1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene (PubChem CID 12900740) has the molecular formula C15H24O and a molecular weight of 220.35 g/mol. Its IUPAC name is (1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene.

Molecular Properties

Compound Name(1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
PubChem CID12900740
Molecular FormulaC15H24O
Molecular Weight220.35 g/mol
Exact Mass220.18
IUPAC Name(1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
SMILESC/C/1=C\CC(/C=C/C[C@@]2([C@@H](O2)CC1)C)(C)C
InChIInChI=1S/C15H24O/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5+,12-8+/t13-,15+/m0/s1
InChIKeyQTGAEXCCAPTGLB-RWRNEBBCSA-N
XLogP3.80
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity324

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene with MolForge

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Related Compounds

Humulene epoxide II
CID 23274265
(-)-Humulene epoxide II
CID 10704181
13-Oxabicyclo(10.1.0)trideca-4,8-diene, 1,5,9-trimethyl-
CID 6436727
13-Oxabicyclo[10.1.0]trideca-4,8-diene, 1,4,8-trimethyl-
CID 122515
(S)-1',2'-Epoxy-1',2'-dihydro-b,y-carotene
CID 87442367
Alpha-Humulene Epoxide
CID 14038843
Humulene epoxyde
CID 5463721
Epoxy (1,11)humulene
CID 5363694
Humulene oxide II
CID 129317183
13-Oxabicyclo[10.1.0]trideca-4,8-diene,trimethyl-
CID 3037228
13-Oxabicyclo(10.1.0)trideca-4,8-diene, trimethyl-
CID 6441804
Epoxycembrene A
CID 10859180

Frequently Asked Questions

What is the IUPAC name of (1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene?
The IUPAC name of (1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene (CID 12900740) is (1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene.
What is the SMILES notation for (1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene?
The canonical SMILES for (1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene is C/C/1=C\CC(/C=C/C[C@@]2([C@@H](O2)CC1)C)(C)C.
What is the InChIKey of (1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene?
The InChIKey is QTGAEXCCAPTGLB-RWRNEBBCSA-N. The full InChI is InChI=1S/C15H24O/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5+,12-8+/t13-,15+/m0/s1.
What are the key properties of (1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene?
(1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene has a molecular weight of 220.35 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene is sourced from PubChem (CID 12900740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).