2-ethoxy-1,4-dimethylcyclohexa-1,3-diene

C10H16O — CID 142132328

IUPAC2-ethoxy-1,4-dimethylcyclohexa-1,3-diene
SMILESCCOC1=C(C)CCC(C)=C1
InChIInChI=1S/C10H16O/c1-4-11-10-7-8(2)5-6-9(10)3/h7H,4-6H2,1-3H3
InChIKeyJRQSKDVJPDGEET-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.04
Rot. Bonds2

About 2-ethoxy-1,4-dimethylcyclohexa-1,3-diene

2-ethoxy-1,4-dimethylcyclohexa-1,3-diene (PubChem CID 142132328) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-ethoxy-1,4-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-ethoxy-1,4-dimethylcyclohexa-1,3-diene
PubChem CID142132328
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-ethoxy-1,4-dimethylcyclohexa-1,3-diene
SMILESCCOC1=C(C)CCC(C)=C1
InChIInChI=1S/C10H16O/c1-4-11-10-7-8(2)5-6-9(10)3/h7H,4-6H2,1-3H3
InChIKeyJRQSKDVJPDGEET-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethoxy-1-methylcyclohexa-1,3-diene
CID 19805352
3,4-diethoxycyclohexa-1,3-dien-1-amine
CID 165130299
1-methyl-4-propoxycyclohexa-1,3-diene
CID 90360498
1-ethoxy-3-methylcyclohexa-1,3-diene
CID 21315553
5-ethoxy-6-methyl-2H-pyran
CID 154452264
6-ethoxy-2,4-dimethyl-2,3-dihydropyridine
CID 45090885
(4-ethoxy-3-methylcyclohexa-1,3-dien-1-yl)methanamine
CID 89418548
3-methylcyclopent-2-en-1-one
CID 162114643
2-[(E)-4-ethoxybut-2-enoxy]-1-methylcyclohexa-1,3-diene
CID 143806825
1-ethoxy-4-(4-methylcyclohex-3-en-1-yl)benzene
CID 18338636
1-but-3-en-2-yloxy-2-(cyclopropylmethoxy)-4-methylcyclohexa-1,3-diene
CID 91465331
(2-amino-3-ethoxy-5-nitrothiophen-1-ylidene)methanone
CID 87965303

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,4-dimethylcyclohexa-1,3-diene?
The IUPAC name of 2-ethoxy-1,4-dimethylcyclohexa-1,3-diene (CID 142132328) is 2-ethoxy-1,4-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 2-ethoxy-1,4-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 2-ethoxy-1,4-dimethylcyclohexa-1,3-diene is CCOC1=C(C)CCC(C)=C1.
What is the InChIKey of 2-ethoxy-1,4-dimethylcyclohexa-1,3-diene?
The InChIKey is JRQSKDVJPDGEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-4-11-10-7-8(2)5-6-9(10)3/h7H,4-6H2,1-3H3.
What are the key properties of 2-ethoxy-1,4-dimethylcyclohexa-1,3-diene?
2-ethoxy-1,4-dimethylcyclohexa-1,3-diene has a molecular weight of 152.24 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,4-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 142132328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).