1-ethoxy-5,5-dimethylcyclohexene

C10H18O — CID 70074299

IUPAC1-ethoxy-5,5-dimethylcyclohexene
SMILESCCOC1=CCCC(C)(C)C1
InChIInChI=1S/C10H18O/c1-4-11-9-6-5-7-10(2,3)8-9/h6H,4-5,7-8H2,1-3H3
InChIKeyJDTCKRJDTPJNOQ-UHFFFAOYSA-N
MW154.25 g/mol
LogP3.12
Rot. Bonds2

About 1-ethoxy-5,5-dimethylcyclohexene

1-ethoxy-5,5-dimethylcyclohexene (PubChem CID 70074299) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-ethoxy-5,5-dimethylcyclohexene.

Molecular Properties

Compound Name1-ethoxy-5,5-dimethylcyclohexene
PubChem CID70074299
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-ethoxy-5,5-dimethylcyclohexene
SMILESCCOC1=CCCC(C)(C)C1
InChIInChI=1S/C10H18O/c1-4-11-9-6-5-7-10(2,3)8-9/h6H,4-5,7-8H2,1-3H3
InChIKeyJDTCKRJDTPJNOQ-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-5,5-dimethylcyclohexene?
The IUPAC name of 1-ethoxy-5,5-dimethylcyclohexene (CID 70074299) is 1-ethoxy-5,5-dimethylcyclohexene.
What is the SMILES notation for 1-ethoxy-5,5-dimethylcyclohexene?
The canonical SMILES for 1-ethoxy-5,5-dimethylcyclohexene is CCOC1=CCCC(C)(C)C1.
What is the InChIKey of 1-ethoxy-5,5-dimethylcyclohexene?
The InChIKey is JDTCKRJDTPJNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-11-9-6-5-7-10(2,3)8-9/h6H,4-5,7-8H2,1-3H3.
What are the key properties of 1-ethoxy-5,5-dimethylcyclohexene?
1-ethoxy-5,5-dimethylcyclohexene has a molecular weight of 154.25 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-5,5-dimethylcyclohexene is sourced from PubChem (CID 70074299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).