1-(5-ethylcyclohexa-1,5-dien-1-yl)ethanol

C10H16O — CID 89393276

IUPAC1-(5-ethylcyclohexa-1,5-dien-1-yl)ethanol
SMILESCCC1=CC(C(C)O)=CCC1
InChIInChI=1S/C10H16O/c1-3-9-5-4-6-10(7-9)8(2)11/h6-8,11H,3-5H2,1-2H3
InChIKeyMPYMOXLWFCNQBJ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.42
Rot. Bonds2

About 1-(5-ethylcyclohexa-1,5-dien-1-yl)ethanol

1-(5-ethylcyclohexa-1,5-dien-1-yl)ethanol (PubChem CID 89393276) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(5-ethylcyclohexa-1,5-dien-1-yl)ethanol.

Molecular Properties

Compound Name1-(5-ethylcyclohexa-1,5-dien-1-yl)ethanol
PubChem CID89393276
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-(5-ethylcyclohexa-1,5-dien-1-yl)ethanol
SMILESCCC1=CC(C(C)O)=CCC1
InChIInChI=1S/C10H16O/c1-3-9-5-4-6-10(7-9)8(2)11/h6-8,11H,3-5H2,1-2H3
InChIKeyMPYMOXLWFCNQBJ-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylcyclohexa-1,5-dien-1-yl)ethanol?
The IUPAC name of 1-(5-ethylcyclohexa-1,5-dien-1-yl)ethanol (CID 89393276) is 1-(5-ethylcyclohexa-1,5-dien-1-yl)ethanol.
What is the SMILES notation for 1-(5-ethylcyclohexa-1,5-dien-1-yl)ethanol?
The canonical SMILES for 1-(5-ethylcyclohexa-1,5-dien-1-yl)ethanol is CCC1=CC(C(C)O)=CCC1.
What is the InChIKey of 1-(5-ethylcyclohexa-1,5-dien-1-yl)ethanol?
The InChIKey is MPYMOXLWFCNQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-9-5-4-6-10(7-9)8(2)11/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 1-(5-ethylcyclohexa-1,5-dien-1-yl)ethanol?
1-(5-ethylcyclohexa-1,5-dien-1-yl)ethanol has a molecular weight of 152.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylcyclohexa-1,5-dien-1-yl)ethanol is sourced from PubChem (CID 89393276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).