ethane;naphthalene;propane

C33H54 — CID 158972865

IUPACethane;naphthalene;propane
SMILESCC.CC.CC.CC.CC.CCC.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/2C10H8.C3H8.5C2H6/c2*1-2-6-10-8-4-3-7-9(10)5-1;1-3-2;5*1-2/h2*1-8H;3H2,1-2H3;5*1-2H3
InChIKeyJOAODTNHFGPHRY-UHFFFAOYSA-N
MW450.80 g/mol
LogP12.23
Rot. Bonds

About ethane;naphthalene;propane

ethane;naphthalene;propane (PubChem CID 158972865) has the molecular formula C33H54 and a molecular weight of 450.80 g/mol. Its IUPAC name is ethane;naphthalene;propane.

Molecular Properties

Compound Nameethane;naphthalene;propane
PubChem CID158972865
Molecular FormulaC33H54
Molecular Weight450.80 g/mol
Exact Mass450.42
IUPAC Nameethane;naphthalene;propane
SMILESCC.CC.CC.CC.CC.CCC.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/2C10H8.C3H8.5C2H6/c2*1-2-6-10-8-4-3-7-9(10)5-1;1-3-2;5*1-2/h2*1-8H;3H2,1-2H3;5*1-2H3
InChIKeyJOAODTNHFGPHRY-UHFFFAOYSA-N
XLogP12.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.80
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;naphthalene;propane?
The IUPAC name of ethane;naphthalene;propane (CID 158972865) is ethane;naphthalene;propane.
What is the SMILES notation for ethane;naphthalene;propane?
The canonical SMILES for ethane;naphthalene;propane is CC.CC.CC.CC.CC.CCC.c1ccc2ccccc2c1.c1ccc2ccccc2c1.
What is the InChIKey of ethane;naphthalene;propane?
The InChIKey is JOAODTNHFGPHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8.C3H8.5C2H6/c2*1-2-6-10-8-4-3-7-9(10)5-1;1-3-2;5*1-2/h2*1-8H;3H2,1-2H3;5*1-2H3.
What are the key properties of ethane;naphthalene;propane?
ethane;naphthalene;propane has a molecular weight of 450.80 g/mol, XLogP of 12.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;naphthalene;propane is sourced from PubChem (CID 158972865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).