8-methyl-11-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene

C16H26O — CID 101144358

IUPAC8-methyl-11-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene
SMILESCC(C)(C)OC1C2C=C3CCCCC1(C)C3C2
InChIInChI=1S/C16H26O/c1-15(2,3)17-14-12-9-11-7-5-6-8-16(14,4)13(11)10-12/h9,12-14H,5-8,10H2,1-4H3
InChIKeyOIRWBOLUHIFOBO-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.33
Rot. Bonds1

About 8-methyl-11-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene

8-methyl-11-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene (PubChem CID 101144358) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 8-methyl-11-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene.

Molecular Properties

Compound Name8-methyl-11-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene
PubChem CID101144358
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name8-methyl-11-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene
SMILESCC(C)(C)OC1C2C=C3CCCCC1(C)C3C2
InChIInChI=1S/C16H26O/c1-15(2,3)17-14-12-9-11-7-5-6-8-16(14,4)13(11)10-12/h9,12-14H,5-8,10H2,1-4H3
InChIKeyOIRWBOLUHIFOBO-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-methyl-11-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-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

(1R,3S,4S)-1',4,7,7-tetramethylspiro[2-oxabicyclo[2.2.1]heptane-3,4'-cyclohexene]
CID 100984563
[(1S,3aS,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroinden-5-yl]-tributylstannane
CID 12114112
Clavufuranolide B
CID 171119628
(1S,3aS,7aS)-7a-ethyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroindene
CID 24806373
(1S,3aS,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroindene
CID 10910766
(4S,7R,8S,11R)-5,5,9-trimethyl-3-oxatetracyclo[5.3.1.01,8.04,11]undec-9-ene
CID 11217734
(1S,4S,7R,8S,11R)-5,5,9-trimethyl-3-oxatetracyclo[5.3.1.01,8.04,11]undec-9-ene
CID 134897885
(5E)-5-[3-[(1S,2S,5S)-2-ethenyl-1-methyl-5-[(2-methylpropan-2-yl)oxy]cyclopentyl]propylidene]-6-methylidenecyclohexa-1,3-diene
CID 134983108
3,3,4,4-Tetramethyl-9-[(2-methylpropan-2-yl)oxy]tricyclo[4.2.1.02,5]non-7-ene
CID 296971
[(1S,3aR,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroinden-5-yl]-tributylstannane
CID 11431950
3,4,4,5,5-Pentamethyl-2-oxatricyclo[4.3.1.03,10]dec-6-ene
CID 20243269
(1R,3S,7S)-1-ethyl-3,6,6,7-tetramethyl-5-propan-2-ylidene-2-oxabicyclo[2.2.1]heptane
CID 59483024

Frequently Asked Questions

What is the IUPAC name of 8-methyl-11-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene?
The IUPAC name of 8-methyl-11-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene (CID 101144358) is 8-methyl-11-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene.
What is the SMILES notation for 8-methyl-11-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene?
The canonical SMILES for 8-methyl-11-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene is CC(C)(C)OC1C2C=C3CCCCC1(C)C3C2.
What is the InChIKey of 8-methyl-11-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene?
The InChIKey is OIRWBOLUHIFOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-15(2,3)17-14-12-9-11-7-5-6-8-16(14,4)13(11)10-12/h9,12-14H,5-8,10H2,1-4H3.
What are the key properties of 8-methyl-11-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene?
8-methyl-11-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene has a molecular weight of 234.38 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-11-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene is sourced from PubChem (CID 101144358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).