2-[3-(2,2,4-trimethylpentan-3-yl)cyclohexa-1,5-dien-1-yl]oxyoxane

C19H32O2 — CID 91372220

IUPAC2-[3-(2,2,4-trimethylpentan-3-yl)cyclohexa-1,5-dien-1-yl]oxyoxane
SMILESCC(C)C(C1C=C(OC2CCCCO2)C=CC1)C(C)(C)C
InChIInChI=1S/C19H32O2/c1-14(2)18(19(3,4)5)15-9-8-10-16(13-15)21-17-11-6-7-12-20-17/h8,10,13-15,17-18H,6-7,9,11-12H2,1-5H3
InChIKeyYFMIGVMAGZMJOB-UHFFFAOYSA-N
MW292.46 g/mol
LogP5.31
Rot. Bonds4

About 2-[3-(2,2,4-trimethylpentan-3-yl)cyclohexa-1,5-dien-1-yl]oxyoxane

2-[3-(2,2,4-trimethylpentan-3-yl)cyclohexa-1,5-dien-1-yl]oxyoxane (PubChem CID 91372220) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 2-[3-(2,2,4-trimethylpentan-3-yl)cyclohexa-1,5-dien-1-yl]oxyoxane.

Molecular Properties

Compound Name2-[3-(2,2,4-trimethylpentan-3-yl)cyclohexa-1,5-dien-1-yl]oxyoxane
PubChem CID91372220
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name2-[3-(2,2,4-trimethylpentan-3-yl)cyclohexa-1,5-dien-1-yl]oxyoxane
SMILESCC(C)C(C1C=C(OC2CCCCO2)C=CC1)C(C)(C)C
InChIInChI=1S/C19H32O2/c1-14(2)18(19(3,4)5)15-9-8-10-16(13-15)21-17-11-6-7-12-20-17/h8,10,13-15,17-18H,6-7,9,11-12H2,1-5H3
InChIKeyYFMIGVMAGZMJOB-UHFFFAOYSA-N
XLogP5.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2,4-trimethylpentan-3-yl)cyclohexa-1,5-dien-1-yl]oxyoxane?
The IUPAC name of 2-[3-(2,2,4-trimethylpentan-3-yl)cyclohexa-1,5-dien-1-yl]oxyoxane (CID 91372220) is 2-[3-(2,2,4-trimethylpentan-3-yl)cyclohexa-1,5-dien-1-yl]oxyoxane.
What is the SMILES notation for 2-[3-(2,2,4-trimethylpentan-3-yl)cyclohexa-1,5-dien-1-yl]oxyoxane?
The canonical SMILES for 2-[3-(2,2,4-trimethylpentan-3-yl)cyclohexa-1,5-dien-1-yl]oxyoxane is CC(C)C(C1C=C(OC2CCCCO2)C=CC1)C(C)(C)C.
What is the InChIKey of 2-[3-(2,2,4-trimethylpentan-3-yl)cyclohexa-1,5-dien-1-yl]oxyoxane?
The InChIKey is YFMIGVMAGZMJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-14(2)18(19(3,4)5)15-9-8-10-16(13-15)21-17-11-6-7-12-20-17/h8,10,13-15,17-18H,6-7,9,11-12H2,1-5H3.
What are the key properties of 2-[3-(2,2,4-trimethylpentan-3-yl)cyclohexa-1,5-dien-1-yl]oxyoxane?
2-[3-(2,2,4-trimethylpentan-3-yl)cyclohexa-1,5-dien-1-yl]oxyoxane has a molecular weight of 292.46 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2,4-trimethylpentan-3-yl)cyclohexa-1,5-dien-1-yl]oxyoxane is sourced from PubChem (CID 91372220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).