ethane;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene

C16H26 — CID 158762166

IUPACethane;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene
SMILESCC.CC(C)/C=C/c1cccc(C(C)C)c1
InChIInChI=1S/C14H20.C2H6/c1-11(2)8-9-13-6-5-7-14(10-13)12(3)4;1-2/h5-12H,1-4H3;1-2H3/b9-8+;
InChIKeyIOUSVCFBOSAWGW-HRNDJLQDSA-N
MW218.38 g/mol
LogP5.51
Rot. Bonds3

About ethane;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene

ethane;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene (PubChem CID 158762166) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is ethane;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene.

Molecular Properties

Compound Nameethane;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene
PubChem CID158762166
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Nameethane;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene
SMILESCC.CC(C)/C=C/c1cccc(C(C)C)c1
InChIInChI=1S/C14H20.C2H6/c1-11(2)8-9-13-6-5-7-14(10-13)12(3)4;1-2/h5-12H,1-4H3;1-2H3/b9-8+;
InChIKeyIOUSVCFBOSAWGW-HRNDJLQDSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(3-propan-2-ylphenyl)but-3-enal
CID 170481683
(2R)-2-methyl-5-(3-propan-2-ylphenyl)pent-4-en-1-ol
CID 91359945
3-[(Z)-3-methylbut-1-enyl]benzonitrile
CID 13297012
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
1-[(E)-4-methyl-4-[(2-methylpropan-2-yl)oxy]pent-1-enyl]-3-propan-2-ylbenzene
CID 89406215
methyl 4-(3-propan-2-ylphenyl)but-3-enoate
CID 170500709
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
ethane;2-fluoro-2-(3-propan-2-ylphenyl)ethanol
CID 163257767
N-[4-(3-propan-2-ylphenyl)but-3-enyl]acetamide
CID 170488487
ethane;1-ethenyl-2-methylbenzene;1-ethenyl-3-propan-2-ylbenzene
CID 176998794
1-[(E,7S)-7-methoxyoct-1-enyl]-3-propan-2-ylbenzene
CID 89406266
benzene;ethane;1-methyl-3-propan-2-ylbenzene
CID 143383161

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene?
The IUPAC name of ethane;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene (CID 158762166) is ethane;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene.
What is the SMILES notation for ethane;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene?
The canonical SMILES for ethane;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene is CC.CC(C)/C=C/c1cccc(C(C)C)c1.
What is the InChIKey of ethane;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene?
The InChIKey is IOUSVCFBOSAWGW-HRNDJLQDSA-N. The full InChI is InChI=1S/C14H20.C2H6/c1-11(2)8-9-13-6-5-7-14(10-13)12(3)4;1-2/h5-12H,1-4H3;1-2H3/b9-8+;.
What are the key properties of ethane;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene?
ethane;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene has a molecular weight of 218.38 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene is sourced from PubChem (CID 158762166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).