(4E,8E)-2,6,10-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene

C15H24O — CID 6436440

IUPAC(4E,8E)-2,6,10-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
SMILESCC1/C=C/CC(C)C2OC2CC(C)/C=C/C1
InChIInChI=1S/C15H24O/c1-11-6-4-8-12(2)10-14-15(16-14)13(3)9-5-7-11/h4-5,7-8,11-15H,6,9-10H2,1-3H3/b7-5+,8-4+
InChIKeyQPNXWGRYYRSVET-JBVHCYJISA-N
MW220.36 g/mol
LogP3.96
Rot. Bonds

About (4E,8E)-2,6,10-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene

(4E,8E)-2,6,10-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene (PubChem CID 6436440) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (4E,8E)-2,6,10-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene.

Molecular Properties

Compound Name(4E,8E)-2,6,10-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
PubChem CID6436440
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(4E,8E)-2,6,10-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
SMILESCC1/C=C/CC(C)C2OC2CC(C)/C=C/C1
InChIInChI=1S/C15H24O/c1-11-6-4-8-12(2)10-14-15(16-14)13(3)9-5-7-11/h4-5,7-8,11-15H,6,9-10H2,1-3H3/b7-5+,8-4+
InChIKeyQPNXWGRYYRSVET-JBVHCYJISA-N
XLogP3.96
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.96
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 (4E,8E)-2,6,10-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene with MolForge

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Related Compounds

Humulene epoxide II
CID 23274265
13-Oxabicyclo(10.1.0)trideca-4,8-diene, 1,5,9-trimethyl-
CID 6436727
Epoxy (1,11)humulene
CID 5363694
(-)-Humulene epoxide II
CID 10704181
13-Oxabicyclo[10.1.0]trideca-4,8-diene, 1,4,8-trimethyl-
CID 122515
Alpha-Humulene Epoxide
CID 14038843
Humulene epoxyde
CID 5463721
1,5-Cyclododecadiene, 9-methoxy-1,6,10-trimethyl-
CID 102054965
1,2,2-Trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
CID 3037228
13-Oxabicyclo(10.1.0)trideca-4,8-diene, trimethyl-
CID 6441804
(4E,7E)-1,5,9,9-Tetramethyl-12-oxabicyclo(9.1.0)dodeca-4,7-diene
CID 22559443
2-Methyl-3-((7E,11E,15Z)-3,7,12,20-tetramethyl-16-vinyl-henicosa-7,11,15,19-tetraenyl)-oxirane
CID 44306333

Frequently Asked Questions

What is the IUPAC name of (4E,8E)-2,6,10-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene?
The IUPAC name of (4E,8E)-2,6,10-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene (CID 6436440) is (4E,8E)-2,6,10-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene.
What is the SMILES notation for (4E,8E)-2,6,10-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene?
The canonical SMILES for (4E,8E)-2,6,10-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene is CC1/C=C/CC(C)C2OC2CC(C)/C=C/C1.
What is the InChIKey of (4E,8E)-2,6,10-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene?
The InChIKey is QPNXWGRYYRSVET-JBVHCYJISA-N. The full InChI is InChI=1S/C15H24O/c1-11-6-4-8-12(2)10-14-15(16-14)13(3)9-5-7-11/h4-5,7-8,11-15H,6,9-10H2,1-3H3/b7-5+,8-4+.
What are the key properties of (4E,8E)-2,6,10-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene?
(4E,8E)-2,6,10-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene has a molecular weight of 220.36 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-2,6,10-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene is sourced from PubChem (CID 6436440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).