4-cyclohexa-1,5-dien-1-yl-4-methyloxane

C12H18O — CID 162365580

IUPAC4-cyclohexa-1,5-dien-1-yl-4-methyloxane
SMILESCC1(C2=CCCC=C2)CCOCC1
InChIInChI=1S/C12H18O/c1-12(7-9-13-10-8-12)11-5-3-2-4-6-11/h3,5-6H,2,4,7-10H2,1H3
InChIKeyUJHBPFWRMJOZND-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.08
Rot. Bonds1

About 4-cyclohexa-1,5-dien-1-yl-4-methyloxane

4-cyclohexa-1,5-dien-1-yl-4-methyloxane (PubChem CID 162365580) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-4-methyloxane.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-4-methyloxane
PubChem CID162365580
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name4-cyclohexa-1,5-dien-1-yl-4-methyloxane
SMILESCC1(C2=CCCC=C2)CCOCC1
InChIInChI=1S/C12H18O/c1-12(7-9-13-10-8-12)11-5-3-2-4-6-11/h3,5-6H,2,4,7-10H2,1H3
InChIKeyUJHBPFWRMJOZND-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4-(3,3-dimethylbut-1-en-1-yl)tetrahydro-2H-pyran
CID 126642344
(5S)-2-ethenyl-1-fluoro-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene
CID 129180554
3-Fluoro-5-(2-methoxyethyl)-2,5-dimethylcyclohexa-1,3-diene
CID 146550843
2-Fluoro-5-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexa-1,3-diene
CID 173039917
3,3-Dimethyl anethole
CID 175639848
4-Methyl-4-(2-methylprop-1-enyl)oxane
CID 57602847
4-methyl-4-[(E)-prop-1-enyl]oxane
CID 57602871
2-[1-(2-Cyclohexa-1,5-dien-1-yl-2-methylpropoxy)-2-methylpropan-2-yl]cyclohexa-1,3-diene
CID 67921648
5-(2-Methoxyethyl)-2-methylcyclohexa-1,3-diene
CID 70336637
6-(2-Methoxyethyl)-1-methylcyclohexa-1,3-diene
CID 70336643
6-(2-Methoxyethyl)-2-methylcyclohexa-1,3-diene
CID 70336644
4-Methyl-4-prop-1-enyloxane
CID 76623259

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-4-methyloxane?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-4-methyloxane (CID 162365580) is 4-cyclohexa-1,5-dien-1-yl-4-methyloxane.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-4-methyloxane?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-4-methyloxane is CC1(C2=CCCC=C2)CCOCC1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-4-methyloxane?
The InChIKey is UJHBPFWRMJOZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-12(7-9-13-10-8-12)11-5-3-2-4-6-11/h3,5-6H,2,4,7-10H2,1H3.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-4-methyloxane?
4-cyclohexa-1,5-dien-1-yl-4-methyloxane has a molecular weight of 178.27 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-4-methyloxane is sourced from PubChem (CID 162365580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).