2-[(8E)-8-propylidene-6,7-dihydro-5H-naphthalen-2-yl]thiophene

C17H18S — CID 143592608

IUPAC2-[(8E)-8-propylidene-6,7-dihydro-5H-naphthalen-2-yl]thiophene
SMILESCC/C=C1\CCCc2ccc(-c3cccs3)cc21
InChIInChI=1S/C17H18S/c1-2-5-13-6-3-7-14-9-10-15(12-16(13)14)17-8-4-11-18-17/h4-5,8-12H,2-3,6-7H2,1H3/b13-5+
InChIKeyKLZUZOSUXJPFLZ-WLRTZDKTSA-N
MW254.40 g/mol
LogP5.54
Rot. Bonds2

About 2-[(8E)-8-propylidene-6,7-dihydro-5H-naphthalen-2-yl]thiophene

2-[(8E)-8-propylidene-6,7-dihydro-5H-naphthalen-2-yl]thiophene (PubChem CID 143592608) has the molecular formula C17H18S and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-[(8E)-8-propylidene-6,7-dihydro-5H-naphthalen-2-yl]thiophene.

Molecular Properties

Compound Name2-[(8E)-8-propylidene-6,7-dihydro-5H-naphthalen-2-yl]thiophene
PubChem CID143592608
Molecular FormulaC17H18S
Molecular Weight254.40 g/mol
Exact Mass254.11
IUPAC Name2-[(8E)-8-propylidene-6,7-dihydro-5H-naphthalen-2-yl]thiophene
SMILESCC/C=C1\CCCc2ccc(-c3cccs3)cc21
InChIInChI=1S/C17H18S/c1-2-5-13-6-3-7-14-9-10-15(12-16(13)14)17-8-4-11-18-17/h4-5,8-12H,2-3,6-7H2,1H3/b13-5+
InChIKeyKLZUZOSUXJPFLZ-WLRTZDKTSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.40
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(8E)-8-propylidene-6,7-dihydro-5H-naphthalen-2-yl]thiophene?
The IUPAC name of 2-[(8E)-8-propylidene-6,7-dihydro-5H-naphthalen-2-yl]thiophene (CID 143592608) is 2-[(8E)-8-propylidene-6,7-dihydro-5H-naphthalen-2-yl]thiophene.
What is the SMILES notation for 2-[(8E)-8-propylidene-6,7-dihydro-5H-naphthalen-2-yl]thiophene?
The canonical SMILES for 2-[(8E)-8-propylidene-6,7-dihydro-5H-naphthalen-2-yl]thiophene is CC/C=C1\CCCc2ccc(-c3cccs3)cc21.
What is the InChIKey of 2-[(8E)-8-propylidene-6,7-dihydro-5H-naphthalen-2-yl]thiophene?
The InChIKey is KLZUZOSUXJPFLZ-WLRTZDKTSA-N. The full InChI is InChI=1S/C17H18S/c1-2-5-13-6-3-7-14-9-10-15(12-16(13)14)17-8-4-11-18-17/h4-5,8-12H,2-3,6-7H2,1H3/b13-5+.
What are the key properties of 2-[(8E)-8-propylidene-6,7-dihydro-5H-naphthalen-2-yl]thiophene?
2-[(8E)-8-propylidene-6,7-dihydro-5H-naphthalen-2-yl]thiophene has a molecular weight of 254.40 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8E)-8-propylidene-6,7-dihydro-5H-naphthalen-2-yl]thiophene is sourced from PubChem (CID 143592608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).