8-ethenyl-2,4,8-trimethyl-4-(4-methylpenta-1,3-dienyl)bicyclo[3.3.1]non-2-ene

C20H30 — CID 163113446

IUPAC8-ethenyl-2,4,8-trimethyl-4-(4-methylpenta-1,3-dienyl)bicyclo[3.3.1]non-2-ene
SMILESC=CC1(C)CCC2CC1C(C)=CC2(C)C=CC=C(C)C
InChIInChI=1S/C20H30/c1-7-19(5)12-10-17-13-18(19)16(4)14-20(17,6)11-8-9-15(2)3/h7-9,11,14,17-18H,1,10,12-13H2,2-6H3
InChIKeySFKYZSKWSOFPBT-UHFFFAOYSA-N
MW270.46 g/mol
LogP6.08
Rot. Bonds3

About 8-ethenyl-2,4,8-trimethyl-4-(4-methylpenta-1,3-dienyl)bicyclo[3.3.1]non-2-ene

8-ethenyl-2,4,8-trimethyl-4-(4-methylpenta-1,3-dienyl)bicyclo[3.3.1]non-2-ene (PubChem CID 163113446) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is 8-ethenyl-2,4,8-trimethyl-4-(4-methylpenta-1,3-dienyl)bicyclo[3.3.1]non-2-ene.

Molecular Properties

Compound Name8-ethenyl-2,4,8-trimethyl-4-(4-methylpenta-1,3-dienyl)bicyclo[3.3.1]non-2-ene
PubChem CID163113446
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name8-ethenyl-2,4,8-trimethyl-4-(4-methylpenta-1,3-dienyl)bicyclo[3.3.1]non-2-ene
SMILESC=CC1(C)CCC2CC1C(C)=CC2(C)C=CC=C(C)C
InChIInChI=1S/C20H30/c1-7-19(5)12-10-17-13-18(19)16(4)14-20(17,6)11-8-9-15(2)3/h7-9,11,14,17-18H,1,10,12-13H2,2-6H3
InChIKeySFKYZSKWSOFPBT-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-ethenyl-2,4,8-trimethyl-4-(4-methylpenta-1,3-dienyl)bicyclo[3.3.1]non-2-ene?
The IUPAC name of 8-ethenyl-2,4,8-trimethyl-4-(4-methylpenta-1,3-dienyl)bicyclo[3.3.1]non-2-ene (CID 163113446) is 8-ethenyl-2,4,8-trimethyl-4-(4-methylpenta-1,3-dienyl)bicyclo[3.3.1]non-2-ene.
What is the SMILES notation for 8-ethenyl-2,4,8-trimethyl-4-(4-methylpenta-1,3-dienyl)bicyclo[3.3.1]non-2-ene?
The canonical SMILES for 8-ethenyl-2,4,8-trimethyl-4-(4-methylpenta-1,3-dienyl)bicyclo[3.3.1]non-2-ene is C=CC1(C)CCC2CC1C(C)=CC2(C)C=CC=C(C)C.
What is the InChIKey of 8-ethenyl-2,4,8-trimethyl-4-(4-methylpenta-1,3-dienyl)bicyclo[3.3.1]non-2-ene?
The InChIKey is SFKYZSKWSOFPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30/c1-7-19(5)12-10-17-13-18(19)16(4)14-20(17,6)11-8-9-15(2)3/h7-9,11,14,17-18H,1,10,12-13H2,2-6H3.
What are the key properties of 8-ethenyl-2,4,8-trimethyl-4-(4-methylpenta-1,3-dienyl)bicyclo[3.3.1]non-2-ene?
8-ethenyl-2,4,8-trimethyl-4-(4-methylpenta-1,3-dienyl)bicyclo[3.3.1]non-2-ene has a molecular weight of 270.46 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-2,4,8-trimethyl-4-(4-methylpenta-1,3-dienyl)bicyclo[3.3.1]non-2-ene is sourced from PubChem (CID 163113446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).