ethane;1,2,3,5-tetramethyl-4-prop-1-en-2-ylbenzene

C17H30 — CID 142349539

IUPACethane;1,2,3,5-tetramethyl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1c(C)cc(C)c(C)c1C.CC.CC
InChIInChI=1S/C13H18.2C2H6/c1-8(2)13-10(4)7-9(3)11(5)12(13)6;2*1-2/h7H,1H2,2-6H3;2*1-2H3
InChIKeyGYSCTSINDTWMJY-UHFFFAOYSA-N
MW234.43 g/mol
LogP6.01
Rot. Bonds1

About ethane;1,2,3,5-tetramethyl-4-prop-1-en-2-ylbenzene

ethane;1,2,3,5-tetramethyl-4-prop-1-en-2-ylbenzene (PubChem CID 142349539) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is ethane;1,2,3,5-tetramethyl-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Nameethane;1,2,3,5-tetramethyl-4-prop-1-en-2-ylbenzene
PubChem CID142349539
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Nameethane;1,2,3,5-tetramethyl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1c(C)cc(C)c(C)c1C.CC.CC
InChIInChI=1S/C13H18.2C2H6/c1-8(2)13-10(4)7-9(3)11(5)12(13)6;2*1-2/h7H,1H2,2-6H3;2*1-2H3
InChIKeyGYSCTSINDTWMJY-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;1,2,3,5-tetramethyl-4-prop-1-en-2-ylbenzene?
The IUPAC name of ethane;1,2,3,5-tetramethyl-4-prop-1-en-2-ylbenzene (CID 142349539) is ethane;1,2,3,5-tetramethyl-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for ethane;1,2,3,5-tetramethyl-4-prop-1-en-2-ylbenzene?
The canonical SMILES for ethane;1,2,3,5-tetramethyl-4-prop-1-en-2-ylbenzene is C=C(C)c1c(C)cc(C)c(C)c1C.CC.CC.
What is the InChIKey of ethane;1,2,3,5-tetramethyl-4-prop-1-en-2-ylbenzene?
The InChIKey is GYSCTSINDTWMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.2C2H6/c1-8(2)13-10(4)7-9(3)11(5)12(13)6;2*1-2/h7H,1H2,2-6H3;2*1-2H3.
What are the key properties of ethane;1,2,3,5-tetramethyl-4-prop-1-en-2-ylbenzene?
ethane;1,2,3,5-tetramethyl-4-prop-1-en-2-ylbenzene has a molecular weight of 234.43 g/mol, XLogP of 6.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,3,5-tetramethyl-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 142349539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).