7-butylcyclopenta[c]thiopyran

C12H14S — CID 173058565

IUPAC7-butylcyclopenta[c]thiopyran
SMILESCCCCc1ccc2ccscc1-2
InChIInChI=1S/C12H14S/c1-2-3-4-10-5-6-11-7-8-13-9-12(10)11/h5-9H,2-4H2,1H3
InChIKeyCUJIEQDRXMPNQC-UHFFFAOYSA-N
MW190.31 g/mol
LogP4.20
Rot. Bonds3

About 7-butylcyclopenta[c]thiopyran

7-butylcyclopenta[c]thiopyran (PubChem CID 173058565) has the molecular formula C12H14S and a molecular weight of 190.31 g/mol. Its IUPAC name is 7-butylcyclopenta[c]thiopyran.

Molecular Properties

Compound Name7-butylcyclopenta[c]thiopyran
PubChem CID173058565
Molecular FormulaC12H14S
Molecular Weight190.31 g/mol
Exact Mass190.08
IUPAC Name7-butylcyclopenta[c]thiopyran
SMILESCCCCc1ccc2ccscc1-2
InChIInChI=1S/C12H14S/c1-2-3-4-10-5-6-11-7-8-13-9-12(10)11/h5-9H,2-4H2,1H3
InChIKeyCUJIEQDRXMPNQC-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-hexylphenyl)thiophene
CID 174751094
3-(2,5-dioctylphenyl)thiophene
CID 91605577
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
7-pentylcyclopenta[c]pyran
CID 91151505
N,N-dimethyl-3-(2-thiophen-3-ylphenyl)propan-1-amine
CID 170865988
1,2,3,4-tetrabutylbenzene
CID 11220391
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
3-heptylthiophene;3-hexylthiophene
CID 159152668
2-butyl-5-(4-butyl-3-hydroxyphenyl)phenol
CID 22954449
1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene
CID 150071734
[4-[4-[4,5-dibutyl-2-[4-(4-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane
CID 102101091
gold;1-pentyl-2-phenylbenzene
CID 174945702

Frequently Asked Questions

What is the IUPAC name of 7-butylcyclopenta[c]thiopyran?
The IUPAC name of 7-butylcyclopenta[c]thiopyran (CID 173058565) is 7-butylcyclopenta[c]thiopyran.
What is the SMILES notation for 7-butylcyclopenta[c]thiopyran?
The canonical SMILES for 7-butylcyclopenta[c]thiopyran is CCCCc1ccc2ccscc1-2.
What is the InChIKey of 7-butylcyclopenta[c]thiopyran?
The InChIKey is CUJIEQDRXMPNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14S/c1-2-3-4-10-5-6-11-7-8-13-9-12(10)11/h5-9H,2-4H2,1H3.
What are the key properties of 7-butylcyclopenta[c]thiopyran?
7-butylcyclopenta[c]thiopyran has a molecular weight of 190.31 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butylcyclopenta[c]thiopyran is sourced from PubChem (CID 173058565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).