ethane;naphthalene-1,5-diol;propane

C17H28O2 — CID 161367010

IUPACethane;naphthalene-1,5-diol;propane
SMILESCC.CC.CCC.Oc1cccc2c(O)cccc12
InChIInChI=1S/C10H8O2.C3H8.2C2H6/c11-9-5-1-3-7-8(9)4-2-6-10(7)12;1-3-2;2*1-2/h1-6,11-12H;3H2,1-2H3;2*1-2H3
InChIKeyVPYDQQLPQZFHGV-UHFFFAOYSA-N
MW264.41 g/mol
LogP5.72
Rot. Bonds

About ethane;naphthalene-1,5-diol;propane

ethane;naphthalene-1,5-diol;propane (PubChem CID 161367010) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is ethane;naphthalene-1,5-diol;propane.

Molecular Properties

Compound Nameethane;naphthalene-1,5-diol;propane
PubChem CID161367010
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Nameethane;naphthalene-1,5-diol;propane
SMILESCC.CC.CCC.Oc1cccc2c(O)cccc12
InChIInChI=1S/C10H8O2.C3H8.2C2H6/c11-9-5-1-3-7-8(9)4-2-6-10(7)12;1-3-2;2*1-2/h1-6,11-12H;3H2,1-2H3;2*1-2H3
InChIKeyVPYDQQLPQZFHGV-UHFFFAOYSA-N
XLogP5.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;naphthalene-1,5-diol;propane?
The IUPAC name of ethane;naphthalene-1,5-diol;propane (CID 161367010) is ethane;naphthalene-1,5-diol;propane.
What is the SMILES notation for ethane;naphthalene-1,5-diol;propane?
The canonical SMILES for ethane;naphthalene-1,5-diol;propane is CC.CC.CCC.Oc1cccc2c(O)cccc12.
What is the InChIKey of ethane;naphthalene-1,5-diol;propane?
The InChIKey is VPYDQQLPQZFHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2.C3H8.2C2H6/c11-9-5-1-3-7-8(9)4-2-6-10(7)12;1-3-2;2*1-2/h1-6,11-12H;3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;naphthalene-1,5-diol;propane?
ethane;naphthalene-1,5-diol;propane has a molecular weight of 264.41 g/mol, XLogP of 5.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;naphthalene-1,5-diol;propane is sourced from PubChem (CID 161367010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).