3-ethenyl-3,6,6,7-tetramethyl-2,3a,4,5-tetrahydro-1H-indene

C15H24 — CID 605018

IUPAC3-ethenyl-3,6,6,7-tetramethyl-2,3a,4,5-tetrahydro-1H-indene
SMILESC=CC1(C)CCC2=C(C)C(C)(C)CCC21
InChIInChI=1S/C15H24/c1-6-15(5)10-7-12-11(2)14(3,4)9-8-13(12)15/h6,13H,1,7-10H2,2-5H3
InChIKeyHNELXVYQXJWDON-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds1

About 3-ethenyl-3,6,6,7-tetramethyl-2,3a,4,5-tetrahydro-1H-indene

3-ethenyl-3,6,6,7-tetramethyl-2,3a,4,5-tetrahydro-1H-indene (PubChem CID 605018) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 3-ethenyl-3,6,6,7-tetramethyl-2,3a,4,5-tetrahydro-1H-indene.

Molecular Properties

Compound Name3-ethenyl-3,6,6,7-tetramethyl-2,3a,4,5-tetrahydro-1H-indene
PubChem CID605018
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name3-ethenyl-3,6,6,7-tetramethyl-2,3a,4,5-tetrahydro-1H-indene
SMILESC=CC1(C)CCC2=C(C)C(C)(C)CCC21
InChIInChI=1S/C15H24/c1-6-15(5)10-7-12-11(2)14(3,4)9-8-13(12)15/h6,13H,1,7-10H2,2-5H3
InChIKeyHNELXVYQXJWDON-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
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 3-ethenyl-3,6,6,7-tetramethyl-2,3a,4,5-tetrahydro-1H-indene?
The IUPAC name of 3-ethenyl-3,6,6,7-tetramethyl-2,3a,4,5-tetrahydro-1H-indene (CID 605018) is 3-ethenyl-3,6,6,7-tetramethyl-2,3a,4,5-tetrahydro-1H-indene.
What is the SMILES notation for 3-ethenyl-3,6,6,7-tetramethyl-2,3a,4,5-tetrahydro-1H-indene?
The canonical SMILES for 3-ethenyl-3,6,6,7-tetramethyl-2,3a,4,5-tetrahydro-1H-indene is C=CC1(C)CCC2=C(C)C(C)(C)CCC21.
What is the InChIKey of 3-ethenyl-3,6,6,7-tetramethyl-2,3a,4,5-tetrahydro-1H-indene?
The InChIKey is HNELXVYQXJWDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-6-15(5)10-7-12-11(2)14(3,4)9-8-13(12)15/h6,13H,1,7-10H2,2-5H3.
What are the key properties of 3-ethenyl-3,6,6,7-tetramethyl-2,3a,4,5-tetrahydro-1H-indene?
3-ethenyl-3,6,6,7-tetramethyl-2,3a,4,5-tetrahydro-1H-indene has a molecular weight of 204.36 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3,6,6,7-tetramethyl-2,3a,4,5-tetrahydro-1H-indene is sourced from PubChem (CID 605018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).