cyclohexa-1,3-dien-1-ol;ethane;propane

C11H22O — CID 143588772

IUPACcyclohexa-1,3-dien-1-ol;ethane;propane
SMILESCC.CCC.OC1=CC=CCC1
InChIInChI=1S/C6H8O.C3H8.C2H6/c7-6-4-2-1-3-5-6;1-3-2;1-2/h1-2,4,7H,3,5H2;3H2,1-2H3;1-2H3
InChIKeyYWJOAXPEIFNMAK-UHFFFAOYSA-N
MW170.30 g/mol
LogP4.22
Rot. Bonds

About cyclohexa-1,3-dien-1-ol;ethane;propane

cyclohexa-1,3-dien-1-ol;ethane;propane (PubChem CID 143588772) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is cyclohexa-1,3-dien-1-ol;ethane;propane.

Molecular Properties

Compound Namecyclohexa-1,3-dien-1-ol;ethane;propane
PubChem CID143588772
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Namecyclohexa-1,3-dien-1-ol;ethane;propane
SMILESCC.CCC.OC1=CC=CCC1
InChIInChI=1S/C6H8O.C3H8.C2H6/c7-6-4-2-1-3-5-6;1-3-2;1-2/h1-2,4,7H,3,5H2;3H2,1-2H3;1-2H3
InChIKeyYWJOAXPEIFNMAK-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-dien-1-ol;ethane;propane?
The IUPAC name of cyclohexa-1,3-dien-1-ol;ethane;propane (CID 143588772) is cyclohexa-1,3-dien-1-ol;ethane;propane.
What is the SMILES notation for cyclohexa-1,3-dien-1-ol;ethane;propane?
The canonical SMILES for cyclohexa-1,3-dien-1-ol;ethane;propane is CC.CCC.OC1=CC=CCC1.
What is the InChIKey of cyclohexa-1,3-dien-1-ol;ethane;propane?
The InChIKey is YWJOAXPEIFNMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O.C3H8.C2H6/c7-6-4-2-1-3-5-6;1-3-2;1-2/h1-2,4,7H,3,5H2;3H2,1-2H3;1-2H3.
What are the key properties of cyclohexa-1,3-dien-1-ol;ethane;propane?
cyclohexa-1,3-dien-1-ol;ethane;propane has a molecular weight of 170.30 g/mol, XLogP of 4.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-dien-1-ol;ethane;propane is sourced from PubChem (CID 143588772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).