1,1,2,3,3-pentamethyl-6-prop-2-enyl-3a,4,5,7a-tetrahydro-2H-indene

C17H28 — CID 90472176

IUPAC1,1,2,3,3-pentamethyl-6-prop-2-enyl-3a,4,5,7a-tetrahydro-2H-indene
SMILESC=CCC1=CC2C(CC1)C(C)(C)C(C)C2(C)C
InChIInChI=1S/C17H28/c1-7-8-13-9-10-14-15(11-13)17(5,6)12(2)16(14,3)4/h7,11-12,14-15H,1,8-10H2,2-6H3
InChIKeyIZJSQGHVYBMLTF-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.22
Rot. Bonds2

About 1,1,2,3,3-pentamethyl-6-prop-2-enyl-3a,4,5,7a-tetrahydro-2H-indene

1,1,2,3,3-pentamethyl-6-prop-2-enyl-3a,4,5,7a-tetrahydro-2H-indene (PubChem CID 90472176) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 1,1,2,3,3-pentamethyl-6-prop-2-enyl-3a,4,5,7a-tetrahydro-2H-indene.

Molecular Properties

Compound Name1,1,2,3,3-pentamethyl-6-prop-2-enyl-3a,4,5,7a-tetrahydro-2H-indene
PubChem CID90472176
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name1,1,2,3,3-pentamethyl-6-prop-2-enyl-3a,4,5,7a-tetrahydro-2H-indene
SMILESC=CCC1=CC2C(CC1)C(C)(C)C(C)C2(C)C
InChIInChI=1S/C17H28/c1-7-8-13-9-10-14-15(11-13)17(5,6)12(2)16(14,3)4/h7,11-12,14-15H,1,8-10H2,2-6H3
InChIKeyIZJSQGHVYBMLTF-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.22
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 1,1,2,3,3-pentamethyl-6-prop-2-enyl-3a,4,5,7a-tetrahydro-2H-indene?
The IUPAC name of 1,1,2,3,3-pentamethyl-6-prop-2-enyl-3a,4,5,7a-tetrahydro-2H-indene (CID 90472176) is 1,1,2,3,3-pentamethyl-6-prop-2-enyl-3a,4,5,7a-tetrahydro-2H-indene.
What is the SMILES notation for 1,1,2,3,3-pentamethyl-6-prop-2-enyl-3a,4,5,7a-tetrahydro-2H-indene?
The canonical SMILES for 1,1,2,3,3-pentamethyl-6-prop-2-enyl-3a,4,5,7a-tetrahydro-2H-indene is C=CCC1=CC2C(CC1)C(C)(C)C(C)C2(C)C.
What is the InChIKey of 1,1,2,3,3-pentamethyl-6-prop-2-enyl-3a,4,5,7a-tetrahydro-2H-indene?
The InChIKey is IZJSQGHVYBMLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-7-8-13-9-10-14-15(11-13)17(5,6)12(2)16(14,3)4/h7,11-12,14-15H,1,8-10H2,2-6H3.
What are the key properties of 1,1,2,3,3-pentamethyl-6-prop-2-enyl-3a,4,5,7a-tetrahydro-2H-indene?
1,1,2,3,3-pentamethyl-6-prop-2-enyl-3a,4,5,7a-tetrahydro-2H-indene has a molecular weight of 232.41 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentamethyl-6-prop-2-enyl-3a,4,5,7a-tetrahydro-2H-indene is sourced from PubChem (CID 90472176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).