(E)-2,5-dimethylhex-3-ene;2,5-di(propan-2-yl)thiophene

C18H32S — CID 167610872

IUPAC(E)-2,5-dimethylhex-3-ene;2,5-di(propan-2-yl)thiophene
SMILESCC(C)/C=C/C(C)C.CC(C)c1ccc(C(C)C)s1
InChIInChI=1S/C10H16S.C8H16/c1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)5-6-8(3)4/h5-8H,1-4H3;5-8H,1-4H3/b;6-5+
InChIKeyLAIMUDFJVAEZDH-MXDQRGINSA-N
MW280.52 g/mol
LogP6.85
Rot. Bonds4

About (E)-2,5-dimethylhex-3-ene;2,5-di(propan-2-yl)thiophene

(E)-2,5-dimethylhex-3-ene;2,5-di(propan-2-yl)thiophene (PubChem CID 167610872) has the molecular formula C18H32S and a molecular weight of 280.52 g/mol. Its IUPAC name is (E)-2,5-dimethylhex-3-ene;2,5-di(propan-2-yl)thiophene.

Molecular Properties

Compound Name(E)-2,5-dimethylhex-3-ene;2,5-di(propan-2-yl)thiophene
PubChem CID167610872
Molecular FormulaC18H32S
Molecular Weight280.52 g/mol
Exact Mass280.22
IUPAC Name(E)-2,5-dimethylhex-3-ene;2,5-di(propan-2-yl)thiophene
SMILESCC(C)/C=C/C(C)C.CC(C)c1ccc(C(C)C)s1
InChIInChI=1S/C10H16S.C8H16/c1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)5-6-8(3)4/h5-8H,1-4H3;5-8H,1-4H3/b;6-5+
InChIKeyLAIMUDFJVAEZDH-MXDQRGINSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.52
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,5-di(propan-2-yl)thiophene
CID 6429946
5-propan-2-ylthiophen-2-ol
CID 66520207
2,2,2-trifluoro-1-(5-propan-2-ylthiophen-2-yl)ethanol
CID 137411203
5-propan-2-ylthiophene-2-carbonitrile
CID 59218723
2-methylsulfanyl-5-propan-2-ylthiophene
CID 22087709
2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene
CID 165073785
2,5-di(butan-2-yl)thiophene
CID 89217006
2,5-bis(1-isocyanatoethyl)thiophene
CID 174793834
tert-butyl-dimethyl-[(5-propan-2-ylthiophen-2-yl)methoxy]silane
CID 57075134
2-propan-2-yl-5-[5-(4-propan-2-ylthiophen-2-yl)hexan-2-yl]thiophene
CID 146200262
3-(5-propan-2-ylthiophen-2-yl)azetidine
CID 177099821
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene
CID 157227802

Frequently Asked Questions

What is the IUPAC name of (E)-2,5-dimethylhex-3-ene;2,5-di(propan-2-yl)thiophene?
The IUPAC name of (E)-2,5-dimethylhex-3-ene;2,5-di(propan-2-yl)thiophene (CID 167610872) is (E)-2,5-dimethylhex-3-ene;2,5-di(propan-2-yl)thiophene.
What is the SMILES notation for (E)-2,5-dimethylhex-3-ene;2,5-di(propan-2-yl)thiophene?
The canonical SMILES for (E)-2,5-dimethylhex-3-ene;2,5-di(propan-2-yl)thiophene is CC(C)/C=C/C(C)C.CC(C)c1ccc(C(C)C)s1.
What is the InChIKey of (E)-2,5-dimethylhex-3-ene;2,5-di(propan-2-yl)thiophene?
The InChIKey is LAIMUDFJVAEZDH-MXDQRGINSA-N. The full InChI is InChI=1S/C10H16S.C8H16/c1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)5-6-8(3)4/h5-8H,1-4H3;5-8H,1-4H3/b;6-5+.
What are the key properties of (E)-2,5-dimethylhex-3-ene;2,5-di(propan-2-yl)thiophene?
(E)-2,5-dimethylhex-3-ene;2,5-di(propan-2-yl)thiophene has a molecular weight of 280.52 g/mol, XLogP of 6.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,5-dimethylhex-3-ene;2,5-di(propan-2-yl)thiophene is sourced from PubChem (CID 167610872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).