2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)oxyethanol

C10H16O2 — CID 163581048

IUPAC2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)oxyethanol
SMILESCC1=C(OCCO)C=CCC1C
InChIInChI=1S/C10H16O2/c1-8-4-3-5-10(9(8)2)12-7-6-11/h3,5,8,11H,4,6-7H2,1-2H3
InChIKeyGHOKAYJEIWOMTL-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.87
Rot. Bonds3

About 2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)oxyethanol

2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)oxyethanol (PubChem CID 163581048) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)oxyethanol.

Molecular Properties

Compound Name2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)oxyethanol
PubChem CID163581048
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)oxyethanol
SMILESCC1=C(OCCO)C=CCC1C
InChIInChI=1S/C10H16O2/c1-8-4-3-5-10(9(8)2)12-7-6-11/h3,5,8,11H,4,6-7H2,1-2H3
InChIKeyGHOKAYJEIWOMTL-UHFFFAOYSA-N
XLogP1.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)oxyethanol?
The IUPAC name of 2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)oxyethanol (CID 163581048) is 2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)oxyethanol.
What is the SMILES notation for 2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)oxyethanol?
The canonical SMILES for 2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)oxyethanol is CC1=C(OCCO)C=CCC1C.
What is the InChIKey of 2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)oxyethanol?
The InChIKey is GHOKAYJEIWOMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-4-3-5-10(9(8)2)12-7-6-11/h3,5,8,11H,4,6-7H2,1-2H3.
What are the key properties of 2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)oxyethanol?
2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)oxyethanol has a molecular weight of 168.24 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)oxyethanol is sourced from PubChem (CID 163581048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).