2-butyl-4-(cyclohexa-1,5-dien-1-ylmethyl)-5,5-diethyl-1,3-oxazolidine

C18H31NO — CID 143836544

IUPAC2-butyl-4-(cyclohexa-1,5-dien-1-ylmethyl)-5,5-diethyl-1,3-oxazolidine
SMILESCCCCC1NC(CC2=CCCC=C2)C(CC)(CC)O1
InChIInChI=1S/C18H31NO/c1-4-7-13-17-19-16(18(5-2,6-3)20-17)14-15-11-9-8-10-12-15/h9,11-12,16-17,19H,4-8,10,13-14H2,1-3H3
InChIKeyOWKWSWQLRHPBTJ-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.72
Rot. Bonds7

About 2-butyl-4-(cyclohexa-1,5-dien-1-ylmethyl)-5,5-diethyl-1,3-oxazolidine

2-butyl-4-(cyclohexa-1,5-dien-1-ylmethyl)-5,5-diethyl-1,3-oxazolidine (PubChem CID 143836544) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-butyl-4-(cyclohexa-1,5-dien-1-ylmethyl)-5,5-diethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-butyl-4-(cyclohexa-1,5-dien-1-ylmethyl)-5,5-diethyl-1,3-oxazolidine
PubChem CID143836544
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-butyl-4-(cyclohexa-1,5-dien-1-ylmethyl)-5,5-diethyl-1,3-oxazolidine
SMILESCCCCC1NC(CC2=CCCC=C2)C(CC)(CC)O1
InChIInChI=1S/C18H31NO/c1-4-7-13-17-19-16(18(5-2,6-3)20-17)14-15-11-9-8-10-12-15/h9,11-12,16-17,19H,4-8,10,13-14H2,1-3H3
InChIKeyOWKWSWQLRHPBTJ-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-(cyclohexa-1,5-dien-1-ylmethyl)-5,5-diethyl-1,3-oxazolidine?
The IUPAC name of 2-butyl-4-(cyclohexa-1,5-dien-1-ylmethyl)-5,5-diethyl-1,3-oxazolidine (CID 143836544) is 2-butyl-4-(cyclohexa-1,5-dien-1-ylmethyl)-5,5-diethyl-1,3-oxazolidine.
What is the SMILES notation for 2-butyl-4-(cyclohexa-1,5-dien-1-ylmethyl)-5,5-diethyl-1,3-oxazolidine?
The canonical SMILES for 2-butyl-4-(cyclohexa-1,5-dien-1-ylmethyl)-5,5-diethyl-1,3-oxazolidine is CCCCC1NC(CC2=CCCC=C2)C(CC)(CC)O1.
What is the InChIKey of 2-butyl-4-(cyclohexa-1,5-dien-1-ylmethyl)-5,5-diethyl-1,3-oxazolidine?
The InChIKey is OWKWSWQLRHPBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-4-7-13-17-19-16(18(5-2,6-3)20-17)14-15-11-9-8-10-12-15/h9,11-12,16-17,19H,4-8,10,13-14H2,1-3H3.
What are the key properties of 2-butyl-4-(cyclohexa-1,5-dien-1-ylmethyl)-5,5-diethyl-1,3-oxazolidine?
2-butyl-4-(cyclohexa-1,5-dien-1-ylmethyl)-5,5-diethyl-1,3-oxazolidine has a molecular weight of 277.45 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-(cyclohexa-1,5-dien-1-ylmethyl)-5,5-diethyl-1,3-oxazolidine is sourced from PubChem (CID 143836544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).