3,3,5,6,8,8-hexamethyltricyclo[5.1.0.02,4]oct-5-ene

C14H22 — CID 600264

IUPAC3,3,5,6,8,8-hexamethyltricyclo[5.1.0.02,4]oct-5-ene
SMILESCC1=C(C)C2C(C3C1C3(C)C)C2(C)C
InChIInChI=1S/C14H22/c1-7-8(2)10-12(14(10,5)6)11-9(7)13(11,3)4/h9-12H,1-6H3
InChIKeyWXFVNBKWGUKJJX-UHFFFAOYSA-N
MW190.33 g/mol
LogP3.88
Rot. Bonds

About 3,3,5,6,8,8-hexamethyltricyclo[5.1.0.02,4]oct-5-ene

3,3,5,6,8,8-hexamethyltricyclo[5.1.0.02,4]oct-5-ene (PubChem CID 600264) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 3,3,5,6,8,8-hexamethyltricyclo[5.1.0.02,4]oct-5-ene.

Molecular Properties

Compound Name3,3,5,6,8,8-hexamethyltricyclo[5.1.0.02,4]oct-5-ene
PubChem CID600264
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name3,3,5,6,8,8-hexamethyltricyclo[5.1.0.02,4]oct-5-ene
SMILESCC1=C(C)C2C(C3C1C3(C)C)C2(C)C
InChIInChI=1S/C14H22/c1-7-8(2)10-12(14(10,5)6)11-9(7)13(11,3)4/h9-12H,1-6H3
InChIKeyWXFVNBKWGUKJJX-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 53.88
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

3-Carene
CID 26049
(+)-3-Carene
CID 443156
(-)-3-Carene
CID 442461
2-Carene, (+)-
CID 78249
2-Carene
CID 79044
(1R,6S,7R)-3,7-Dimethyl-7-(4-methyl-3-penten-1-yl)bicyclo(4.1.0)hept-2-ene
CID 11074502
(-)-2-Carene
CID 6430755
(1R,5S,6S)-2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-2-ene
CID 10998132
3,7,7-Trimethylbicyclo[4.1.0]hept-1-ene
CID 14568304
(1R,6S,7R)-3,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-3-ene
CID 13350909
CID 105050
CID 105050
(+)-trans-2-Carene
CID 12302457

Frequently Asked Questions

What is the IUPAC name of 3,3,5,6,8,8-hexamethyltricyclo[5.1.0.02,4]oct-5-ene?
The IUPAC name of 3,3,5,6,8,8-hexamethyltricyclo[5.1.0.02,4]oct-5-ene (CID 600264) is 3,3,5,6,8,8-hexamethyltricyclo[5.1.0.02,4]oct-5-ene.
What is the SMILES notation for 3,3,5,6,8,8-hexamethyltricyclo[5.1.0.02,4]oct-5-ene?
The canonical SMILES for 3,3,5,6,8,8-hexamethyltricyclo[5.1.0.02,4]oct-5-ene is CC1=C(C)C2C(C3C1C3(C)C)C2(C)C.
What is the InChIKey of 3,3,5,6,8,8-hexamethyltricyclo[5.1.0.02,4]oct-5-ene?
The InChIKey is WXFVNBKWGUKJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-7-8(2)10-12(14(10,5)6)11-9(7)13(11,3)4/h9-12H,1-6H3.
What are the key properties of 3,3,5,6,8,8-hexamethyltricyclo[5.1.0.02,4]oct-5-ene?
3,3,5,6,8,8-hexamethyltricyclo[5.1.0.02,4]oct-5-ene has a molecular weight of 190.33 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,6,8,8-hexamethyltricyclo[5.1.0.02,4]oct-5-ene is sourced from PubChem (CID 600264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).