ethane;methane;1-propan-2-ylnaphthalene

C18H32 — CID 160778548

IUPACethane;methane;1-propan-2-ylnaphthalene
SMILESC.C.C.CC.CC(C)c1cccc2ccccc12
InChIInChI=1S/C13H14.C2H6.3CH4/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-2;;;/h3-10H,1-2H3;1-2H3;3*1H4
InChIKeySAGSEHQPLAOATL-UHFFFAOYSA-N
MW248.45 g/mol
LogP6.90
Rot. Bonds1

About ethane;methane;1-propan-2-ylnaphthalene

ethane;methane;1-propan-2-ylnaphthalene (PubChem CID 160778548) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is ethane;methane;1-propan-2-ylnaphthalene.

Molecular Properties

Compound Nameethane;methane;1-propan-2-ylnaphthalene
PubChem CID160778548
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Nameethane;methane;1-propan-2-ylnaphthalene
SMILESC.C.C.CC.CC(C)c1cccc2ccccc12
InChIInChI=1S/C13H14.C2H6.3CH4/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-2;;;/h3-10H,1-2H3;1-2H3;3*1H4
InChIKeySAGSEHQPLAOATL-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-propan-2-ylnaphthalene?
The IUPAC name of ethane;methane;1-propan-2-ylnaphthalene (CID 160778548) is ethane;methane;1-propan-2-ylnaphthalene.
What is the SMILES notation for ethane;methane;1-propan-2-ylnaphthalene?
The canonical SMILES for ethane;methane;1-propan-2-ylnaphthalene is C.C.C.CC.CC(C)c1cccc2ccccc12.
What is the InChIKey of ethane;methane;1-propan-2-ylnaphthalene?
The InChIKey is SAGSEHQPLAOATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.C2H6.3CH4/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-2;;;/h3-10H,1-2H3;1-2H3;3*1H4.
What are the key properties of ethane;methane;1-propan-2-ylnaphthalene?
ethane;methane;1-propan-2-ylnaphthalene has a molecular weight of 248.45 g/mol, XLogP of 6.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-propan-2-ylnaphthalene is sourced from PubChem (CID 160778548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).