ethane;7-methyl-1-propan-2-ylnaphthalene

C16H22 — CID 177009970

IUPACethane;7-methyl-1-propan-2-ylnaphthalene
SMILESCC.Cc1ccc2cccc(C(C)C)c2c1
InChIInChI=1S/C14H16.C2H6/c1-10(2)13-6-4-5-12-8-7-11(3)9-14(12)13;1-2/h4-10H,1-3H3;1-2H3
InChIKeyPLKUPYOVKPCISS-UHFFFAOYSA-N
MW214.35 g/mol
LogP5.30
Rot. Bonds1

About ethane;7-methyl-1-propan-2-ylnaphthalene

ethane;7-methyl-1-propan-2-ylnaphthalene (PubChem CID 177009970) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is ethane;7-methyl-1-propan-2-ylnaphthalene.

Molecular Properties

Compound Nameethane;7-methyl-1-propan-2-ylnaphthalene
PubChem CID177009970
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Nameethane;7-methyl-1-propan-2-ylnaphthalene
SMILESCC.Cc1ccc2cccc(C(C)C)c2c1
InChIInChI=1S/C14H16.C2H6/c1-10(2)13-6-4-5-12-8-7-11(3)9-14(12)13;1-2/h4-10H,1-3H3;1-2H3
InChIKeyPLKUPYOVKPCISS-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.35
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-1-propan-2-ylnaphthalene?
The IUPAC name of ethane;7-methyl-1-propan-2-ylnaphthalene (CID 177009970) is ethane;7-methyl-1-propan-2-ylnaphthalene.
What is the SMILES notation for ethane;7-methyl-1-propan-2-ylnaphthalene?
The canonical SMILES for ethane;7-methyl-1-propan-2-ylnaphthalene is CC.Cc1ccc2cccc(C(C)C)c2c1.
What is the InChIKey of ethane;7-methyl-1-propan-2-ylnaphthalene?
The InChIKey is PLKUPYOVKPCISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C2H6/c1-10(2)13-6-4-5-12-8-7-11(3)9-14(12)13;1-2/h4-10H,1-3H3;1-2H3.
What are the key properties of ethane;7-methyl-1-propan-2-ylnaphthalene?
ethane;7-methyl-1-propan-2-ylnaphthalene has a molecular weight of 214.35 g/mol, XLogP of 5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-1-propan-2-ylnaphthalene is sourced from PubChem (CID 177009970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).