(1S,8S,9R,10S)-8-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene

C16H26O — CID 10585799

IUPAC(1S,8S,9R,10S)-8-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene
SMILESCC(C)(C)O[C@H]1[C@@H]2C=C3CCCC[C@@](C)(C2)[C@H]31
InChIInChI=1S/C16H26O/c1-15(2,3)17-14-12-9-11-7-5-6-8-16(4,10-12)13(11)14/h9,12-14H,5-8,10H2,1-4H3/t12-,13-,14+,16+/m1/s1
InChIKeyJBSKPMYTMMOMDB-NYTXWWLZSA-N
MW234.38 g/mol
LogP4.33
Rot. Bonds1

About (1S,8S,9R,10S)-8-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene

(1S,8S,9R,10S)-8-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene (PubChem CID 10585799) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (1S,8S,9R,10S)-8-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene.

Molecular Properties

Compound Name(1S,8S,9R,10S)-8-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene
PubChem CID10585799
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(1S,8S,9R,10S)-8-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene
SMILESCC(C)(C)O[C@H]1[C@@H]2C=C3CCCC[C@@](C)(C2)[C@H]31
InChIInChI=1S/C16H26O/c1-15(2,3)17-14-12-9-11-7-5-6-8-16(4,10-12)13(11)14/h9,12-14H,5-8,10H2,1-4H3/t12-,13-,14+,16+/m1/s1
InChIKeyJBSKPMYTMMOMDB-NYTXWWLZSA-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'}

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Related Compounds

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CID 12114112
(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
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CID 11431950
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5-Ethoxy-6-ethylbicyclo[2.2.1]hept-2-ene
CID 22336658
7-Ethoxy-5,5-dimethylbicyclo[2.2.1]hept-2-ene
CID 58981589
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4-tert-butyl-10-[(1E,4E)-2,3,3-trimethyl-4-[(Z)-prop-1-enyl]hepta-1,4-dienyl]-9-oxatricyclo[6.1.1.02,7]dec-3-ene
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Frequently Asked Questions

What is the IUPAC name of (1S,8S,9R,10S)-8-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene?
The IUPAC name of (1S,8S,9R,10S)-8-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene (CID 10585799) is (1S,8S,9R,10S)-8-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene.
What is the SMILES notation for (1S,8S,9R,10S)-8-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene?
The canonical SMILES for (1S,8S,9R,10S)-8-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene is CC(C)(C)O[C@H]1[C@@H]2C=C3CCCC[C@@](C)(C2)[C@H]31.
What is the InChIKey of (1S,8S,9R,10S)-8-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene?
The InChIKey is JBSKPMYTMMOMDB-NYTXWWLZSA-N. The full InChI is InChI=1S/C16H26O/c1-15(2,3)17-14-12-9-11-7-5-6-8-16(4,10-12)13(11)14/h9,12-14H,5-8,10H2,1-4H3/t12-,13-,14+,16+/m1/s1.
What are the key properties of (1S,8S,9R,10S)-8-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene?
(1S,8S,9R,10S)-8-methyl-10-[(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 (1S,8S,9R,10S)-8-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-2-ene is sourced from PubChem (CID 10585799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).