2-ethenoxy-3-methylcyclohexa-1,3-diene

C9H12O — CID 143020941

IUPAC2-ethenoxy-3-methylcyclohexa-1,3-diene
SMILESC=COC1=CCCC=C1C
InChIInChI=1S/C9H12O/c1-3-10-9-7-5-4-6-8(9)2/h3,6-7H,1,4-5H2,2H3
InChIKeyRRRYVXAJISNCKS-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.77
Rot. Bonds2

About 2-ethenoxy-3-methylcyclohexa-1,3-diene

2-ethenoxy-3-methylcyclohexa-1,3-diene (PubChem CID 143020941) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 2-ethenoxy-3-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-ethenoxy-3-methylcyclohexa-1,3-diene
PubChem CID143020941
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name2-ethenoxy-3-methylcyclohexa-1,3-diene
SMILESC=COC1=CCCC=C1C
InChIInChI=1S/C9H12O/c1-3-10-9-7-5-4-6-8(9)2/h3,6-7H,1,4-5H2,2H3
InChIKeyRRRYVXAJISNCKS-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(6-methylcyclohexa-1,5-dien-1-yl) hypoiodite
CID 144929888
(6-methylcyclohexa-1,5-dien-1-yl) hydrogen carbonate
CID 173264041
diethyl (6-methylcyclohexa-1,5-dien-1-yl) phosphate
CID 102268062
N,N,6-trimethylcyclohexa-1,5-dien-1-amine
CID 91143349
2,7-dimethylcyclohepta-2,6-dien-1-one
CID 130027254
1,4-bis(ethenoxy)benzene;ethane
CID 145326219
ethane;1-methyl-2-[4-(6-methylcyclohexa-1,5-dien-1-yl)oxybutoxy]benzene
CID 172627121
2-ethenoxy-4,6-dimethylpyridine
CID 119090344
6-but-3-enoxycyclohexa-1,5-diene-1-carboxylic acid
CID 89244885
3-ethoxy-2-methyl-5-prop-2-enylcyclohexa-1,3-diene
CID 121419445
3-ethenoxyfuran-2,5-dione
CID 57056226
2,3,6,7-tetrakis(ethenoxy)naphthalene
CID 118013817

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-3-methylcyclohexa-1,3-diene?
The IUPAC name of 2-ethenoxy-3-methylcyclohexa-1,3-diene (CID 143020941) is 2-ethenoxy-3-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2-ethenoxy-3-methylcyclohexa-1,3-diene?
The canonical SMILES for 2-ethenoxy-3-methylcyclohexa-1,3-diene is C=COC1=CCCC=C1C.
What is the InChIKey of 2-ethenoxy-3-methylcyclohexa-1,3-diene?
The InChIKey is RRRYVXAJISNCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-3-10-9-7-5-4-6-8(9)2/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 2-ethenoxy-3-methylcyclohexa-1,3-diene?
2-ethenoxy-3-methylcyclohexa-1,3-diene has a molecular weight of 136.19 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-3-methylcyclohexa-1,3-diene is sourced from PubChem (CID 143020941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).