1,6-di(propan-2-yl)naphthalene

C16H20 — CID 3016596

IUPAC1,6-di(propan-2-yl)naphthalene
SMILESCC(C)c1ccc2c(C(C)C)cccc2c1
InChIInChI=1S/C16H20/c1-11(2)13-8-9-16-14(10-13)6-5-7-15(16)12(3)4/h5-12H,1-4H3
InChIKeyGQHUSRBBMNYHIF-UHFFFAOYSA-N
MW212.34 g/mol
LogP5.09
Rot. Bonds2

About 1,6-di(propan-2-yl)naphthalene

1,6-di(propan-2-yl)naphthalene (PubChem CID 3016596) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1,6-di(propan-2-yl)naphthalene.

Molecular Properties

Compound Name1,6-di(propan-2-yl)naphthalene
PubChem CID3016596
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name1,6-di(propan-2-yl)naphthalene
SMILESCC(C)c1ccc2c(C(C)C)cccc2c1
InChIInChI=1S/C16H20/c1-11(2)13-8-9-16-14(10-13)6-5-7-15(16)12(3)4/h5-12H,1-4H3
InChIKeyGQHUSRBBMNYHIF-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.34
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,6-di(propan-2-yl)naphthalene?
The IUPAC name of 1,6-di(propan-2-yl)naphthalene (CID 3016596) is 1,6-di(propan-2-yl)naphthalene.
What is the SMILES notation for 1,6-di(propan-2-yl)naphthalene?
The canonical SMILES for 1,6-di(propan-2-yl)naphthalene is CC(C)c1ccc2c(C(C)C)cccc2c1.
What is the InChIKey of 1,6-di(propan-2-yl)naphthalene?
The InChIKey is GQHUSRBBMNYHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-11(2)13-8-9-16-14(10-13)6-5-7-15(16)12(3)4/h5-12H,1-4H3.
What are the key properties of 1,6-di(propan-2-yl)naphthalene?
1,6-di(propan-2-yl)naphthalene has a molecular weight of 212.34 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-di(propan-2-yl)naphthalene is sourced from PubChem (CID 3016596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).