3,3,12-trimethyl-8-methylidenetricyclo[7.3.0.02,4]dodecane

C16H26 — CID 162865985

IUPAC3,3,12-trimethyl-8-methylidenetricyclo[7.3.0.02,4]dodecane
SMILESC=C1CCCC2C(C3C(C)CCC13)C2(C)C
InChIInChI=1S/C16H26/c1-10-6-5-7-13-15(16(13,3)4)14-11(2)8-9-12(10)14/h11-15H,1,5-9H2,2-4H3
InChIKeyQQQOPBVPEDBXOA-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.66
Rot. Bonds

About 3,3,12-trimethyl-8-methylidenetricyclo[7.3.0.02,4]dodecane

3,3,12-trimethyl-8-methylidenetricyclo[7.3.0.02,4]dodecane (PubChem CID 162865985) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 3,3,12-trimethyl-8-methylidenetricyclo[7.3.0.02,4]dodecane.

Molecular Properties

Compound Name3,3,12-trimethyl-8-methylidenetricyclo[7.3.0.02,4]dodecane
PubChem CID162865985
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name3,3,12-trimethyl-8-methylidenetricyclo[7.3.0.02,4]dodecane
SMILESC=C1CCCC2C(C3C(C)CCC13)C2(C)C
InChIInChI=1S/C16H26/c1-10-6-5-7-13-15(16(13,3)4)14-11(2)8-9-12(10)14/h11-15H,1,5-9H2,2-4H3
InChIKeyQQQOPBVPEDBXOA-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.66
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

Alloaromadendrene
CID 10899740
1H-Cycloprop(e)azulene, decahydro-1,1,7-trimethyl-4-methylene-, (1aR-(1aalpha,4abeta,7alpha,7abeta,7balpha))-
CID 91354
Aromadendrene
CID 11095734
[-]-Isoaromadendrene[V]
CID 21775889
Allo-Aromadendrene
CID 42608158
beta-Aromadendrene
CID 42608157
Alloaromadendren
CID 91746537
beta-Diploalbicene
CID 177445
(1aR,4aR,7S,7aS,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa(e)azulene
CID 44584667
(1aR,4aR,7R,7aR,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
CID 12978151
(1aS,4aS,7aS,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
CID 91746456
(-)-Aromadendrene
CID 12305246

Frequently Asked Questions

What is the IUPAC name of 3,3,12-trimethyl-8-methylidenetricyclo[7.3.0.02,4]dodecane?
The IUPAC name of 3,3,12-trimethyl-8-methylidenetricyclo[7.3.0.02,4]dodecane (CID 162865985) is 3,3,12-trimethyl-8-methylidenetricyclo[7.3.0.02,4]dodecane.
What is the SMILES notation for 3,3,12-trimethyl-8-methylidenetricyclo[7.3.0.02,4]dodecane?
The canonical SMILES for 3,3,12-trimethyl-8-methylidenetricyclo[7.3.0.02,4]dodecane is C=C1CCCC2C(C3C(C)CCC13)C2(C)C.
What is the InChIKey of 3,3,12-trimethyl-8-methylidenetricyclo[7.3.0.02,4]dodecane?
The InChIKey is QQQOPBVPEDBXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-10-6-5-7-13-15(16(13,3)4)14-11(2)8-9-12(10)14/h11-15H,1,5-9H2,2-4H3.
What are the key properties of 3,3,12-trimethyl-8-methylidenetricyclo[7.3.0.02,4]dodecane?
3,3,12-trimethyl-8-methylidenetricyclo[7.3.0.02,4]dodecane has a molecular weight of 218.38 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,12-trimethyl-8-methylidenetricyclo[7.3.0.02,4]dodecane is sourced from PubChem (CID 162865985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).