ethane;2-methyl-4,5,9,10-tetrahydropyrene

C23H34 — CID 91241370

IUPACethane;2-methyl-4,5,9,10-tetrahydropyrene
SMILESCC.CC.CC.Cc1cc2c3c(c1)CCc1cccc(c1-3)CC2
InChIInChI=1S/C17H16.3C2H6/c1-11-9-14-7-5-12-3-2-4-13-6-8-15(10-11)17(14)16(12)13;3*1-2/h2-4,9-10H,5-8H2,1H3;3*1-2H3
InChIKeyGGEDCCYDQBIMDX-UHFFFAOYSA-N
MW310.53 g/mol
LogP6.94
Rot. Bonds

About ethane;2-methyl-4,5,9,10-tetrahydropyrene

ethane;2-methyl-4,5,9,10-tetrahydropyrene (PubChem CID 91241370) has the molecular formula C23H34 and a molecular weight of 310.53 g/mol. Its IUPAC name is ethane;2-methyl-4,5,9,10-tetrahydropyrene.

Molecular Properties

Compound Nameethane;2-methyl-4,5,9,10-tetrahydropyrene
PubChem CID91241370
Molecular FormulaC23H34
Molecular Weight310.53 g/mol
Exact Mass310.27
IUPAC Nameethane;2-methyl-4,5,9,10-tetrahydropyrene
SMILESCC.CC.CC.Cc1cc2c3c(c1)CCc1cccc(c1-3)CC2
InChIInChI=1S/C17H16.3C2H6/c1-11-9-14-7-5-12-3-2-4-13-6-8-15(10-11)17(14)16(12)13;3*1-2/h2-4,9-10H,5-8H2,1H3;3*1-2H3
InChIKeyGGEDCCYDQBIMDX-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4,5,9,10-tetrahydropyrene?
The IUPAC name of ethane;2-methyl-4,5,9,10-tetrahydropyrene (CID 91241370) is ethane;2-methyl-4,5,9,10-tetrahydropyrene.
What is the SMILES notation for ethane;2-methyl-4,5,9,10-tetrahydropyrene?
The canonical SMILES for ethane;2-methyl-4,5,9,10-tetrahydropyrene is CC.CC.CC.Cc1cc2c3c(c1)CCc1cccc(c1-3)CC2.
What is the InChIKey of ethane;2-methyl-4,5,9,10-tetrahydropyrene?
The InChIKey is GGEDCCYDQBIMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16.3C2H6/c1-11-9-14-7-5-12-3-2-4-13-6-8-15(10-11)17(14)16(12)13;3*1-2/h2-4,9-10H,5-8H2,1H3;3*1-2H3.
What are the key properties of ethane;2-methyl-4,5,9,10-tetrahydropyrene?
ethane;2-methyl-4,5,9,10-tetrahydropyrene has a molecular weight of 310.53 g/mol, XLogP of 6.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4,5,9,10-tetrahydropyrene is sourced from PubChem (CID 91241370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).