2,4,5,6-tetramethyl-3-propyl-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene

C17H30 — CID 59917128

IUPAC2,4,5,6-tetramethyl-3-propyl-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene
SMILESCCCC1C(C)C(C)C2C(C)C3CC3C(C)C12
InChIInChI=1S/C17H30/c1-6-7-13-9(2)10(3)16-11(4)14-8-15(14)12(5)17(13)16/h9-17H,6-8H2,1-5H3
InChIKeyITLYGABYBULCEW-UHFFFAOYSA-N
MW234.43 g/mol
LogP4.84
Rot. Bonds2

About 2,4,5,6-tetramethyl-3-propyl-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene

2,4,5,6-tetramethyl-3-propyl-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene (PubChem CID 59917128) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 2,4,5,6-tetramethyl-3-propyl-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene.

Molecular Properties

Compound Name2,4,5,6-tetramethyl-3-propyl-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene
PubChem CID59917128
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name2,4,5,6-tetramethyl-3-propyl-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene
SMILESCCCC1C(C)C(C)C2C(C)C3CC3C(C)C12
InChIInChI=1S/C17H30/c1-6-7-13-9(2)10(3)16-11(4)14-8-15(14)12(5)17(13)16/h9-17H,6-8H2,1-5H3
InChIKeyITLYGABYBULCEW-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.43
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetramethyl-3-propyl-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene?
The IUPAC name of 2,4,5,6-tetramethyl-3-propyl-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene (CID 59917128) is 2,4,5,6-tetramethyl-3-propyl-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene.
What is the SMILES notation for 2,4,5,6-tetramethyl-3-propyl-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene?
The canonical SMILES for 2,4,5,6-tetramethyl-3-propyl-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene is CCCC1C(C)C(C)C2C(C)C3CC3C(C)C12.
What is the InChIKey of 2,4,5,6-tetramethyl-3-propyl-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene?
The InChIKey is ITLYGABYBULCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-6-7-13-9(2)10(3)16-11(4)14-8-15(14)12(5)17(13)16/h9-17H,6-8H2,1-5H3.
What are the key properties of 2,4,5,6-tetramethyl-3-propyl-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene?
2,4,5,6-tetramethyl-3-propyl-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene has a molecular weight of 234.43 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetramethyl-3-propyl-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene is sourced from PubChem (CID 59917128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).