5-(butoxymethyl)-2,5-bis(ethenyl)cyclohexa-1,3-diene

C15H22O — CID 150780738

IUPAC5-(butoxymethyl)-2,5-bis(ethenyl)cyclohexa-1,3-diene
SMILESC=CC1=CCC(C=C)(COCCCC)C=C1
InChIInChI=1S/C15H22O/c1-4-7-12-16-13-15(6-3)10-8-14(5-2)9-11-15/h5-6,8-10H,2-4,7,11-13H2,1H3
InChIKeyKBUWWUGGJZMBTI-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.05
Rot. Bonds7

About 5-(butoxymethyl)-2,5-bis(ethenyl)cyclohexa-1,3-diene

5-(butoxymethyl)-2,5-bis(ethenyl)cyclohexa-1,3-diene (PubChem CID 150780738) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-(butoxymethyl)-2,5-bis(ethenyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(butoxymethyl)-2,5-bis(ethenyl)cyclohexa-1,3-diene
PubChem CID150780738
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name5-(butoxymethyl)-2,5-bis(ethenyl)cyclohexa-1,3-diene
SMILESC=CC1=CCC(C=C)(COCCCC)C=C1
InChIInChI=1S/C15H22O/c1-4-7-12-16-13-15(6-3)10-8-14(5-2)9-11-15/h5-6,8-10H,2-4,7,11-13H2,1H3
InChIKeyKBUWWUGGJZMBTI-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-Diethoxymethylbenzene
CID 129706044
2-Fluoro-5-(methoxymethyl)-5-methylcyclohexa-1,3-diene
CID 144423881
5-(Methoxymethyl)-5-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 166967442
1-Methylene-6-methoxymethyl-2,4-cyclohexadiene
CID 12596345
5-(1-Ethoxyethenyl)-6-methylidenecyclohexa-1,3-diene
CID 86227164
(1-Methyl-benzyl)-vinyl-ether
CID 129714215
6,6-dimethyl-7,9a-dihydro-1H-cyclohepta[c]pyran
CID 134942692
(3Z)-7-(2-fluoropropoxy)-5-methylidenehepta-1,3-diene
CID 142367085
5-(Methoxymethyl)cyclohexa-1,3-diene
CID 9964088
2-(2-Methoxyethyl)cyclohexa-1,3-diene
CID 14290345
1-Ethoxy-3,5,5-trimethylcyclohexa-1,3-diene
CID 21565213
2-(2-Ethoxyethyl)cyclohexa-1,3-diene
CID 22312170

Frequently Asked Questions

What is the IUPAC name of 5-(butoxymethyl)-2,5-bis(ethenyl)cyclohexa-1,3-diene?
The IUPAC name of 5-(butoxymethyl)-2,5-bis(ethenyl)cyclohexa-1,3-diene (CID 150780738) is 5-(butoxymethyl)-2,5-bis(ethenyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-(butoxymethyl)-2,5-bis(ethenyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-(butoxymethyl)-2,5-bis(ethenyl)cyclohexa-1,3-diene is C=CC1=CCC(C=C)(COCCCC)C=C1.
What is the InChIKey of 5-(butoxymethyl)-2,5-bis(ethenyl)cyclohexa-1,3-diene?
The InChIKey is KBUWWUGGJZMBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-4-7-12-16-13-15(6-3)10-8-14(5-2)9-11-15/h5-6,8-10H,2-4,7,11-13H2,1H3.
What are the key properties of 5-(butoxymethyl)-2,5-bis(ethenyl)cyclohexa-1,3-diene?
5-(butoxymethyl)-2,5-bis(ethenyl)cyclohexa-1,3-diene has a molecular weight of 218.34 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butoxymethyl)-2,5-bis(ethenyl)cyclohexa-1,3-diene is sourced from PubChem (CID 150780738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).