7-ethenyl-4,4,7-trimethyl-1,2,3,5,6,8-hexahydronaphthalene

C15H24 — CID 10536210

IUPAC7-ethenyl-4,4,7-trimethyl-1,2,3,5,6,8-hexahydronaphthalene
SMILESC=CC1(C)CCC2=C(CCCC2(C)C)C1
InChIInChI=1S/C15H24/c1-5-15(4)10-8-13-12(11-15)7-6-9-14(13,2)3/h5H,1,6-11H2,2-4H3
InChIKeyPDUALMVHPRWJDH-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.87
Rot. Bonds1

About 7-ethenyl-4,4,7-trimethyl-1,2,3,5,6,8-hexahydronaphthalene

7-ethenyl-4,4,7-trimethyl-1,2,3,5,6,8-hexahydronaphthalene (PubChem CID 10536210) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 7-ethenyl-4,4,7-trimethyl-1,2,3,5,6,8-hexahydronaphthalene.

Molecular Properties

Compound Name7-ethenyl-4,4,7-trimethyl-1,2,3,5,6,8-hexahydronaphthalene
PubChem CID10536210
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name7-ethenyl-4,4,7-trimethyl-1,2,3,5,6,8-hexahydronaphthalene
SMILESC=CC1(C)CCC2=C(CCCC2(C)C)C1
InChIInChI=1S/C15H24/c1-5-15(4)10-8-13-12(11-15)7-6-9-14(13,2)3/h5H,1,6-11H2,2-4H3
InChIKeyPDUALMVHPRWJDH-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-4,4,7-trimethyl-1,2,3,5,6,8-hexahydronaphthalene?
The IUPAC name of 7-ethenyl-4,4,7-trimethyl-1,2,3,5,6,8-hexahydronaphthalene (CID 10536210) is 7-ethenyl-4,4,7-trimethyl-1,2,3,5,6,8-hexahydronaphthalene.
What is the SMILES notation for 7-ethenyl-4,4,7-trimethyl-1,2,3,5,6,8-hexahydronaphthalene?
The canonical SMILES for 7-ethenyl-4,4,7-trimethyl-1,2,3,5,6,8-hexahydronaphthalene is C=CC1(C)CCC2=C(CCCC2(C)C)C1.
What is the InChIKey of 7-ethenyl-4,4,7-trimethyl-1,2,3,5,6,8-hexahydronaphthalene?
The InChIKey is PDUALMVHPRWJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-5-15(4)10-8-13-12(11-15)7-6-9-14(13,2)3/h5H,1,6-11H2,2-4H3.
What are the key properties of 7-ethenyl-4,4,7-trimethyl-1,2,3,5,6,8-hexahydronaphthalene?
7-ethenyl-4,4,7-trimethyl-1,2,3,5,6,8-hexahydronaphthalene has a molecular weight of 204.36 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-4,4,7-trimethyl-1,2,3,5,6,8-hexahydronaphthalene is sourced from PubChem (CID 10536210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).