2,2,8,8-tetramethyl-10-propylidene-octahydro-1H-2,4a-methanonapthalene

C18H30 — CID 91331842

IUPAC2,2,8,8-tetramethyl-10-propylidene-octahydro-1H-2,4a-methanonapthalene
SMILESCCC=C1CCC(C)(C)C23CCC(C2)C(C)(C)C13
InChIInChI=1S/C18H30/c1-6-7-13-8-10-16(2,3)18-11-9-14(12-18)17(4,5)15(13)18/h7,14-15H,6,8-12H2,1-5H3
InChIKeyPIEYHLVIMBTYAN-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.59
Rot. Bonds1

About 2,2,8,8-tetramethyl-10-propylidene-octahydro-1H-2,4a-methanonapthalene

2,2,8,8-tetramethyl-10-propylidene-octahydro-1H-2,4a-methanonapthalene (PubChem CID 91331842) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 2,2,8,8-tetramethyl-10-propylidene-octahydro-1H-2,4a-methanonapthalene.

Molecular Properties

Compound Name2,2,8,8-tetramethyl-10-propylidene-octahydro-1H-2,4a-methanonapthalene
PubChem CID91331842
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name2,2,8,8-tetramethyl-10-propylidene-octahydro-1H-2,4a-methanonapthalene
SMILESCCC=C1CCC(C)(C)C23CCC(C2)C(C)(C)C13
InChIInChI=1S/C18H30/c1-6-7-13-8-10-16(2,3)18-11-9-14(12-18)17(4,5)15(13)18/h7,14-15H,6,8-12H2,1-5H3
InChIKeyPIEYHLVIMBTYAN-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.59
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 2,2,8,8-tetramethyl-10-propylidene-octahydro-1H-2,4a-methanonapthalene?
The IUPAC name of 2,2,8,8-tetramethyl-10-propylidene-octahydro-1H-2,4a-methanonapthalene (CID 91331842) is 2,2,8,8-tetramethyl-10-propylidene-octahydro-1H-2,4a-methanonapthalene.
What is the SMILES notation for 2,2,8,8-tetramethyl-10-propylidene-octahydro-1H-2,4a-methanonapthalene?
The canonical SMILES for 2,2,8,8-tetramethyl-10-propylidene-octahydro-1H-2,4a-methanonapthalene is CCC=C1CCC(C)(C)C23CCC(C2)C(C)(C)C13.
What is the InChIKey of 2,2,8,8-tetramethyl-10-propylidene-octahydro-1H-2,4a-methanonapthalene?
The InChIKey is PIEYHLVIMBTYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-6-7-13-8-10-16(2,3)18-11-9-14(12-18)17(4,5)15(13)18/h7,14-15H,6,8-12H2,1-5H3.
What are the key properties of 2,2,8,8-tetramethyl-10-propylidene-octahydro-1H-2,4a-methanonapthalene?
2,2,8,8-tetramethyl-10-propylidene-octahydro-1H-2,4a-methanonapthalene has a molecular weight of 246.44 g/mol, XLogP of 5.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,8,8-tetramethyl-10-propylidene-octahydro-1H-2,4a-methanonapthalene is sourced from PubChem (CID 91331842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).