ethane;4-ethyl-4-(3-methylphenyl)oxane

C16H26O — CID 143442459

IUPACethane;4-ethyl-4-(3-methylphenyl)oxane
SMILESCC.CCC1(c2cccc(C)c2)CCOCC1
InChIInChI=1S/C14H20O.C2H6/c1-3-14(7-9-15-10-8-14)13-6-4-5-12(2)11-13;1-2/h4-6,11H,3,7-10H2,1-2H3;1-2H3
InChIKeyYCOXNFNABKJOQG-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.48
Rot. Bonds2

About ethane;4-ethyl-4-(3-methylphenyl)oxane

ethane;4-ethyl-4-(3-methylphenyl)oxane (PubChem CID 143442459) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is ethane;4-ethyl-4-(3-methylphenyl)oxane.

Molecular Properties

Compound Nameethane;4-ethyl-4-(3-methylphenyl)oxane
PubChem CID143442459
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Nameethane;4-ethyl-4-(3-methylphenyl)oxane
SMILESCC.CCC1(c2cccc(C)c2)CCOCC1
InChIInChI=1S/C14H20O.C2H6/c1-3-14(7-9-15-10-8-14)13-6-4-5-12(2)11-13;1-2/h4-6,11H,3,7-10H2,1-2H3;1-2H3
InChIKeyYCOXNFNABKJOQG-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-4-(3-methylphenyl)oxane
CID 143442460
N-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine
CID 62596266
2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594988
5-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]thiophene-2-sulfonamide
CID 46968329
[1-(3-methylphenyl)cyclopropyl]methanol
CID 55253193
ethane;1-(3-methylphenyl)cyclopropan-1-amine;molecular hydrogen;propane
CID 144873819
3-(3-methylphenyl)oxolan-3-ol
CID 63331929
[2-(3-methylphenyl)oxetan-2-yl]methanol
CID 117258789
2-iodo-4-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]benzamide
CID 100528479
3-[4-(methylsulfanylmethyl)oxan-4-yl]phenol
CID 115042718
1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea
CID 110936718
N-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 100517750

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-4-(3-methylphenyl)oxane?
The IUPAC name of ethane;4-ethyl-4-(3-methylphenyl)oxane (CID 143442459) is ethane;4-ethyl-4-(3-methylphenyl)oxane.
What is the SMILES notation for ethane;4-ethyl-4-(3-methylphenyl)oxane?
The canonical SMILES for ethane;4-ethyl-4-(3-methylphenyl)oxane is CC.CCC1(c2cccc(C)c2)CCOCC1.
What is the InChIKey of ethane;4-ethyl-4-(3-methylphenyl)oxane?
The InChIKey is YCOXNFNABKJOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O.C2H6/c1-3-14(7-9-15-10-8-14)13-6-4-5-12(2)11-13;1-2/h4-6,11H,3,7-10H2,1-2H3;1-2H3.
What are the key properties of ethane;4-ethyl-4-(3-methylphenyl)oxane?
ethane;4-ethyl-4-(3-methylphenyl)oxane has a molecular weight of 234.38 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-4-(3-methylphenyl)oxane is sourced from PubChem (CID 143442459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).