2-cyclohepta-1,3,6-trien-1-ylethanol

C9H12O — CID 142952915

IUPAC2-cyclohepta-1,3,6-trien-1-ylethanol
SMILESOCCC1=CC=CCC=C1
InChIInChI=1S/C9H12O/c10-8-7-9-5-3-1-2-4-6-9/h1,3-6,10H,2,7-8H2
InChIKeyHVMLEUUOURIBAH-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.81
Rot. Bonds2

About 2-cyclohepta-1,3,6-trien-1-ylethanol

2-cyclohepta-1,3,6-trien-1-ylethanol (PubChem CID 142952915) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 2-cyclohepta-1,3,6-trien-1-ylethanol.

Molecular Properties

Compound Name2-cyclohepta-1,3,6-trien-1-ylethanol
PubChem CID142952915
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name2-cyclohepta-1,3,6-trien-1-ylethanol
SMILESOCCC1=CC=CCC=C1
InChIInChI=1S/C9H12O/c10-8-7-9-5-3-1-2-4-6-9/h1,3-6,10H,2,7-8H2
InChIKeyHVMLEUUOURIBAH-UHFFFAOYSA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohepta-1,3,6-trien-1-ylethanol?
The IUPAC name of 2-cyclohepta-1,3,6-trien-1-ylethanol (CID 142952915) is 2-cyclohepta-1,3,6-trien-1-ylethanol.
What is the SMILES notation for 2-cyclohepta-1,3,6-trien-1-ylethanol?
The canonical SMILES for 2-cyclohepta-1,3,6-trien-1-ylethanol is OCCC1=CC=CCC=C1.
What is the InChIKey of 2-cyclohepta-1,3,6-trien-1-ylethanol?
The InChIKey is HVMLEUUOURIBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c10-8-7-9-5-3-1-2-4-6-9/h1,3-6,10H,2,7-8H2.
What are the key properties of 2-cyclohepta-1,3,6-trien-1-ylethanol?
2-cyclohepta-1,3,6-trien-1-ylethanol has a molecular weight of 136.19 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohepta-1,3,6-trien-1-ylethanol is sourced from PubChem (CID 142952915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).