ethane;2-[1-(methoxymethyl)cyclopropyl]cyclohexa-1,3-diene

C13H22O — CID 176926689

IUPACethane;2-[1-(methoxymethyl)cyclopropyl]cyclohexa-1,3-diene
SMILESCC.COCC1(C2=CCCC=C2)CC1
InChIInChI=1S/C11H16O.C2H6/c1-12-9-11(7-8-11)10-5-3-2-4-6-10;1-2/h3,5-6H,2,4,7-9H2,1H3;1-2H3
InChIKeyWIQSEAMEIXWVHS-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.72
Rot. Bonds3

About ethane;2-[1-(methoxymethyl)cyclopropyl]cyclohexa-1,3-diene

ethane;2-[1-(methoxymethyl)cyclopropyl]cyclohexa-1,3-diene (PubChem CID 176926689) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is ethane;2-[1-(methoxymethyl)cyclopropyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;2-[1-(methoxymethyl)cyclopropyl]cyclohexa-1,3-diene
PubChem CID176926689
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Nameethane;2-[1-(methoxymethyl)cyclopropyl]cyclohexa-1,3-diene
SMILESCC.COCC1(C2=CCCC=C2)CC1
InChIInChI=1S/C11H16O.C2H6/c1-12-9-11(7-8-11)10-5-3-2-4-6-10;1-2/h3,5-6H,2,4,7-9H2,1H3;1-2H3
InChIKeyWIQSEAMEIXWVHS-UHFFFAOYSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-Methoxyethyl)-1-(3-methylbut-2-enyl)cyclopropane
CID 67125627
2-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-6-methylcyclohexa-1,3-diene
CID 70252329
2-(1-Methylcyclohexa-2,4-dien-1-yl)oxirane
CID 88749065
(E)-4-ethyl-4-(methoxymethyl)hex-2-ene
CID 89190137
2-Tert-butyl-6-(methoxymethyl)cyclohexa-1,3-diene
CID 118327825
[1-(2-Methoxyethenyl)cyclopropyl]cyclooctatetraene
CID 123540698
2-[1,4-Bis(ethenyl)cyclohexa-2,4-dien-1-yl]oxirane
CID 140333900
5-(Methoxymethyl)-5-methylcyclohexa-1,3-diene
CID 141294373
5-Methyl-5-(propoxymethyl)cyclohexa-1,3-diene
CID 141402188
6-(Methoxymethyl)-2,6-dimethylcyclohexa-1,3-diene
CID 141944496
1,5-Dimethyl-5-(propoxymethyl)cyclohexa-1,3-diene
CID 141989686
ethane;1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylcyclohexa-1,3-diene
CID 143867259

Frequently Asked Questions

What is the IUPAC name of ethane;2-[1-(methoxymethyl)cyclopropyl]cyclohexa-1,3-diene?
The IUPAC name of ethane;2-[1-(methoxymethyl)cyclopropyl]cyclohexa-1,3-diene (CID 176926689) is ethane;2-[1-(methoxymethyl)cyclopropyl]cyclohexa-1,3-diene.
What is the SMILES notation for ethane;2-[1-(methoxymethyl)cyclopropyl]cyclohexa-1,3-diene?
The canonical SMILES for ethane;2-[1-(methoxymethyl)cyclopropyl]cyclohexa-1,3-diene is CC.COCC1(C2=CCCC=C2)CC1.
What is the InChIKey of ethane;2-[1-(methoxymethyl)cyclopropyl]cyclohexa-1,3-diene?
The InChIKey is WIQSEAMEIXWVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C2H6/c1-12-9-11(7-8-11)10-5-3-2-4-6-10;1-2/h3,5-6H,2,4,7-9H2,1H3;1-2H3.
What are the key properties of ethane;2-[1-(methoxymethyl)cyclopropyl]cyclohexa-1,3-diene?
ethane;2-[1-(methoxymethyl)cyclopropyl]cyclohexa-1,3-diene has a molecular weight of 194.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[1-(methoxymethyl)cyclopropyl]cyclohexa-1,3-diene is sourced from PubChem (CID 176926689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).