ethane;2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene

C12H22O2 — CID 143791077

IUPACethane;2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene
SMILESCC.COCCOC1=C(C)CCC=C1
InChIInChI=1S/C10H16O2.C2H6/c1-9-5-3-4-6-10(9)12-8-7-11-2;1-2/h4,6H,3,5,7-8H2,1-2H3;1-2H3
InChIKeyJOUWRIZGKVFDFP-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.30
Rot. Bonds4

About ethane;2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene

ethane;2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene (PubChem CID 143791077) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is ethane;2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene
PubChem CID143791077
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Nameethane;2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene
SMILESCC.COCCOC1=C(C)CCC=C1
InChIInChI=1S/C10H16O2.C2H6/c1-9-5-3-4-6-10(9)12-8-7-11-2;1-2/h4,6H,3,5,7-8H2,1-2H3;1-2H3
InChIKeyJOUWRIZGKVFDFP-UHFFFAOYSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Benzene, dihydro-4-allyl-1,2-dimethoxy-
CID 3053286
7-[(1E)-1-ethoxybuta-1,3-dienyl]-2,3,4,5-tetrahydrooxepine
CID 11287020
6-[(1E)-1-ethoxybuta-1,3-dienyl]-3,4-dihydro-2H-pyran
CID 11458036
(2S)-2-methyl-6-[(2S)-2-methyl-3,4-dihydro-2H-pyran-6-yl]-3,4-dihydro-2H-pyran
CID 10921415
Methoxydimethyloctadiene
CID 87220842
1-fluoro-3-[[(3E,5Z)-octa-1,3,5-trien-4-yl]oxymethyl]cyclohexa-1,3-diene
CID 134389449
(3E,5Z)-3-(fluoromethyl)-4-(2-methoxyethoxy)octa-3,5-diene
CID 145498388
(2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene
CID 155119673
5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-6-methyl-2H-pyran
CID 167223083
4-Fluoro-2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene
CID 169135542
(2R,6R)-6-ethyl-5-methyl-2-[(2E)-penta-2,4-dien-2-yl]-3,6-dihydro-2H-pyran
CID 11355996
(2E,4Z)-4-ethoxydeca-2,4-diene
CID 13863848

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene?
The IUPAC name of ethane;2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene (CID 143791077) is ethane;2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for ethane;2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene?
The canonical SMILES for ethane;2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene is CC.COCCOC1=C(C)CCC=C1.
What is the InChIKey of ethane;2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene?
The InChIKey is JOUWRIZGKVFDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.C2H6/c1-9-5-3-4-6-10(9)12-8-7-11-2;1-2/h4,6H,3,5,7-8H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene?
ethane;2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene has a molecular weight of 198.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 143791077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).