1-butan-2-yl-2-butylbenzene;ethane;propane

C19H36 — CID 144927563

IUPAC1-butan-2-yl-2-butylbenzene;ethane;propane
SMILESCC.CCC.CCCCc1ccccc1C(C)CC
InChIInChI=1S/C14H22.C3H8.C2H6/c1-4-6-9-13-10-7-8-11-14(13)12(3)5-2;1-3-2;1-2/h7-8,10-12H,4-6,9H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyOCOWWOZGHWGNBM-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.99
Rot. Bonds5

About 1-butan-2-yl-2-butylbenzene;ethane;propane

1-butan-2-yl-2-butylbenzene;ethane;propane (PubChem CID 144927563) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 1-butan-2-yl-2-butylbenzene;ethane;propane.

Molecular Properties

Compound Name1-butan-2-yl-2-butylbenzene;ethane;propane
PubChem CID144927563
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name1-butan-2-yl-2-butylbenzene;ethane;propane
SMILESCC.CCC.CCCCc1ccccc1C(C)CC
InChIInChI=1S/C14H22.C3H8.C2H6/c1-4-6-9-13-10-7-8-11-14(13)12(3)5-2;1-3-2;1-2/h7-8,10-12H,4-6,9H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyOCOWWOZGHWGNBM-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-2-[1-(2-butylphenyl)ethyl]benzene
CID 19828902
1-butan-2-yl-2-(2-phenylethyl)benzene
CID 22235126
bis(2-butylphenyl)methylphosphane
CID 90110024
1-pentadecyl-2-propan-2-ylbenzene;sulfane
CID 174904763
1-butyl-2-methylbenzene;ethane;propane
CID 142102479
2,3,4-tris[2-(2-butylphenyl)propyl]phenol
CID 67224382
4-[2-(3-aminopropyl)phenyl]pentan-1-amine
CID 54448117
CID 159940559
CID 159940559
3-butan-2-yl-2-(2-octylphenyl)phenol
CID 67179934
1-(difluoromethyl)-2-pentylbenzene
CID 162568517
1-butyl-2-[1-[1-(2-butylphenyl)butoxy]butyl]benzene
CID 139328587
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-butylbenzene;ethane;propane?
The IUPAC name of 1-butan-2-yl-2-butylbenzene;ethane;propane (CID 144927563) is 1-butan-2-yl-2-butylbenzene;ethane;propane.
What is the SMILES notation for 1-butan-2-yl-2-butylbenzene;ethane;propane?
The canonical SMILES for 1-butan-2-yl-2-butylbenzene;ethane;propane is CC.CCC.CCCCc1ccccc1C(C)CC.
What is the InChIKey of 1-butan-2-yl-2-butylbenzene;ethane;propane?
The InChIKey is OCOWWOZGHWGNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.C3H8.C2H6/c1-4-6-9-13-10-7-8-11-14(13)12(3)5-2;1-3-2;1-2/h7-8,10-12H,4-6,9H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of 1-butan-2-yl-2-butylbenzene;ethane;propane?
1-butan-2-yl-2-butylbenzene;ethane;propane has a molecular weight of 264.50 g/mol, XLogP of 6.99, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-butylbenzene;ethane;propane is sourced from PubChem (CID 144927563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).