butane;ethane;naphthalene-1,8-diol

C18H30O2 — CID 91186616

IUPACbutane;ethane;naphthalene-1,8-diol
SMILESCC.CC.CCCC.Oc1cccc2cccc(O)c12
InChIInChI=1S/C10H8O2.C4H10.2C2H6/c11-8-5-1-3-7-4-2-6-9(12)10(7)8;1-3-4-2;2*1-2/h1-6,11-12H;3-4H2,1-2H3;2*1-2H3
InChIKeySKESTJKFZDCOLP-UHFFFAOYSA-N
MW278.44 g/mol
LogP6.11
Rot. Bonds1

About butane;ethane;naphthalene-1,8-diol

butane;ethane;naphthalene-1,8-diol (PubChem CID 91186616) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is butane;ethane;naphthalene-1,8-diol.

Molecular Properties

Compound Namebutane;ethane;naphthalene-1,8-diol
PubChem CID91186616
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Namebutane;ethane;naphthalene-1,8-diol
SMILESCC.CC.CCCC.Oc1cccc2cccc(O)c12
InChIInChI=1S/C10H8O2.C4H10.2C2H6/c11-8-5-1-3-7-4-2-6-9(12)10(7)8;1-3-4-2;2*1-2/h1-6,11-12H;3-4H2,1-2H3;2*1-2H3
InChIKeySKESTJKFZDCOLP-UHFFFAOYSA-N
XLogP6.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butane;ethane;naphthalene-1,8-diol?
The IUPAC name of butane;ethane;naphthalene-1,8-diol (CID 91186616) is butane;ethane;naphthalene-1,8-diol.
What is the SMILES notation for butane;ethane;naphthalene-1,8-diol?
The canonical SMILES for butane;ethane;naphthalene-1,8-diol is CC.CC.CCCC.Oc1cccc2cccc(O)c12.
What is the InChIKey of butane;ethane;naphthalene-1,8-diol?
The InChIKey is SKESTJKFZDCOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2.C4H10.2C2H6/c11-8-5-1-3-7-4-2-6-9(12)10(7)8;1-3-4-2;2*1-2/h1-6,11-12H;3-4H2,1-2H3;2*1-2H3.
What are the key properties of butane;ethane;naphthalene-1,8-diol?
butane;ethane;naphthalene-1,8-diol has a molecular weight of 278.44 g/mol, XLogP of 6.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;naphthalene-1,8-diol is sourced from PubChem (CID 91186616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).