1,2,2,3,4,5,5,6,7,7-decamethylbicyclo[4.1.0]hept-3-ene

C17H30 — CID 58944199

IUPAC1,2,2,3,4,5,5,6,7,7-decamethylbicyclo[4.1.0]hept-3-ene
SMILESCC1=C(C)C(C)(C)C2(C)C(C)(C)C2(C)C1(C)C
InChIInChI=1S/C17H30/c1-11-12(2)14(5,6)17(10)15(7,8)16(17,9)13(11,3)4/h1-10H3
InChIKeyAVERPJCURNAXAC-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.44
Rot. Bonds

About 1,2,2,3,4,5,5,6,7,7-decamethylbicyclo[4.1.0]hept-3-ene

1,2,2,3,4,5,5,6,7,7-decamethylbicyclo[4.1.0]hept-3-ene (PubChem CID 58944199) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 1,2,2,3,4,5,5,6,7,7-decamethylbicyclo[4.1.0]hept-3-ene.

Molecular Properties

Compound Name1,2,2,3,4,5,5,6,7,7-decamethylbicyclo[4.1.0]hept-3-ene
PubChem CID58944199
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name1,2,2,3,4,5,5,6,7,7-decamethylbicyclo[4.1.0]hept-3-ene
SMILESCC1=C(C)C(C)(C)C2(C)C(C)(C)C2(C)C1(C)C
InChIInChI=1S/C17H30/c1-11-12(2)14(5,6)17(10)15(7,8)16(17,9)13(11,3)4/h1-10H3
InChIKeyAVERPJCURNAXAC-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.44
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
Pseudowiddrene
CID 15409431
(-)-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

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,4,5,5,6,7,7-decamethylbicyclo[4.1.0]hept-3-ene?
The IUPAC name of 1,2,2,3,4,5,5,6,7,7-decamethylbicyclo[4.1.0]hept-3-ene (CID 58944199) is 1,2,2,3,4,5,5,6,7,7-decamethylbicyclo[4.1.0]hept-3-ene.
What is the SMILES notation for 1,2,2,3,4,5,5,6,7,7-decamethylbicyclo[4.1.0]hept-3-ene?
The canonical SMILES for 1,2,2,3,4,5,5,6,7,7-decamethylbicyclo[4.1.0]hept-3-ene is CC1=C(C)C(C)(C)C2(C)C(C)(C)C2(C)C1(C)C.
What is the InChIKey of 1,2,2,3,4,5,5,6,7,7-decamethylbicyclo[4.1.0]hept-3-ene?
The InChIKey is AVERPJCURNAXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-11-12(2)14(5,6)17(10)15(7,8)16(17,9)13(11,3)4/h1-10H3.
What are the key properties of 1,2,2,3,4,5,5,6,7,7-decamethylbicyclo[4.1.0]hept-3-ene?
1,2,2,3,4,5,5,6,7,7-decamethylbicyclo[4.1.0]hept-3-ene has a molecular weight of 234.43 g/mol, XLogP of 5.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,4,5,5,6,7,7-decamethylbicyclo[4.1.0]hept-3-ene is sourced from PubChem (CID 58944199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).