ethane;methane;9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene

C19H34 — CID 142513105

IUPACethane;methane;9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene
SMILESC.C.CC.Cc1c2c(cc3c1CCCC3)CCCC2
InChIInChI=1S/C15H20.C2H6.2CH4/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-2;;/h10H,2-9H2,1H3;1-2H3;2*1H4
InChIKeyLRMQJLYPSAAJQL-UHFFFAOYSA-N
MW262.48 g/mol
LogP6.05
Rot. Bonds

About ethane;methane;9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene

ethane;methane;9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene (PubChem CID 142513105) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is ethane;methane;9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene.

Molecular Properties

Compound Nameethane;methane;9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene
PubChem CID142513105
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Nameethane;methane;9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene
SMILESC.C.CC.Cc1c2c(cc3c1CCCC3)CCCC2
InChIInChI=1S/C15H20.C2H6.2CH4/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-2;;/h10H,2-9H2,1H3;1-2H3;2*1H4
InChIKeyLRMQJLYPSAAJQL-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene?
The IUPAC name of ethane;methane;9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene (CID 142513105) is ethane;methane;9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene.
What is the SMILES notation for ethane;methane;9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene?
The canonical SMILES for ethane;methane;9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene is C.C.CC.Cc1c2c(cc3c1CCCC3)CCCC2.
What is the InChIKey of ethane;methane;9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene?
The InChIKey is LRMQJLYPSAAJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20.C2H6.2CH4/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-2;;/h10H,2-9H2,1H3;1-2H3;2*1H4.
What are the key properties of ethane;methane;9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene?
ethane;methane;9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene has a molecular weight of 262.48 g/mol, XLogP of 6.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene is sourced from PubChem (CID 142513105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).