methane;(1S,8R)-3,11,11-trimethyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

C16H24 — CID 159199814

IUPACmethane;(1S,8R)-3,11,11-trimethyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESC.C.Cc1cccc2c1[C@H]1C=C[C@@H]2C1(C)C
InChIInChI=1S/C14H16.2CH4/c1-9-5-4-6-10-11-7-8-12(13(9)10)14(11,2)3;;/h4-8,11-12H,1-3H3;2*1H4/t11-,12+;;/m0../s1
InChIKeyKPDKFHMOMNSIPJ-UVDYRLMLSA-N
MW216.37 g/mol
LogP5.04
Rot. Bonds

About methane;(1S,8R)-3,11,11-trimethyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

methane;(1S,8R)-3,11,11-trimethyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (PubChem CID 159199814) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is methane;(1S,8R)-3,11,11-trimethyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.

Molecular Properties

Compound Namemethane;(1S,8R)-3,11,11-trimethyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
PubChem CID159199814
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Namemethane;(1S,8R)-3,11,11-trimethyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESC.C.Cc1cccc2c1[C@H]1C=C[C@@H]2C1(C)C
InChIInChI=1S/C14H16.2CH4/c1-9-5-4-6-10-11-7-8-12(13(9)10)14(11,2)3;;/h4-8,11-12H,1-3H3;2*1H4/t11-,12+;;/m0../s1
InChIKeyKPDKFHMOMNSIPJ-UVDYRLMLSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene
CID 13306900
1,9-dimethyl-9H-fluorene
CID 28227
cis-(1S,3S)-2,2-dimethyl-3-(2-methyl-6-nitrophenyl)cyclopropan-1-amine
CID 178202699
7-methyl-1-[2-(7-methyl-1H-inden-1-yl)ethyl]-1H-indene
CID 22482576
N-[[3-(2,3-dimethylphenyl)-2,2-dimethylcyclopropyl]methyl]ethanamine
CID 114229514
1,5-dimethylnaphthalene
CID 162159355
4,5,9-trimethyl-9H-fluorene
CID 20673052
2,2,3,4-tetramethyl-3H-1-benzofuran-1-ium
CID 144945477
2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3-dimethylbenzene
CID 141380218
9-ethyl-1-methyl-9H-fluorene
CID 15584367
3-(2,3-dimethylphenyl)-N,2,2-trimethylcyclobutan-1-amine
CID 81417183
9-[1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]carbazole
CID 67374079

Frequently Asked Questions

What is the IUPAC name of methane;(1S,8R)-3,11,11-trimethyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The IUPAC name of methane;(1S,8R)-3,11,11-trimethyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (CID 159199814) is methane;(1S,8R)-3,11,11-trimethyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.
What is the SMILES notation for methane;(1S,8R)-3,11,11-trimethyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The canonical SMILES for methane;(1S,8R)-3,11,11-trimethyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is C.C.Cc1cccc2c1[C@H]1C=C[C@@H]2C1(C)C.
What is the InChIKey of methane;(1S,8R)-3,11,11-trimethyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The InChIKey is KPDKFHMOMNSIPJ-UVDYRLMLSA-N. The full InChI is InChI=1S/C14H16.2CH4/c1-9-5-4-6-10-11-7-8-12(13(9)10)14(11,2)3;;/h4-8,11-12H,1-3H3;2*1H4/t11-,12+;;/m0../s1.
What are the key properties of methane;(1S,8R)-3,11,11-trimethyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
methane;(1S,8R)-3,11,11-trimethyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene has a molecular weight of 216.37 g/mol, XLogP of 5.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(1S,8R)-3,11,11-trimethyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is sourced from PubChem (CID 159199814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).