bis[3-cyclohexyl-5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone

C27H34O5S2 — CID 73011657

IUPACbis[3-cyclohexyl-5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone
SMILESO=C(c1sc(C2OCCO2)cc1C1CCCCC1)c1sc(C2OCCO2)cc1C1CCCCC1
InChIInChI=1S/C27H34O5S2/c28-23(24-19(17-7-3-1-4-8-17)15-21(33-24)26-29-11-12-30-26)25-20(18-9-5-2-6-10-18)16-22(34-25)27-31-13-14-32-27/h15-18,26-27H,1-14H2
InChIKeyAMJSBDAHLWXRAJ-UHFFFAOYSA-N
MW502.70 g/mol
LogP7.23
Rot. Bonds6

About bis[3-cyclohexyl-5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone

bis[3-cyclohexyl-5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone (PubChem CID 73011657) has the molecular formula C27H34O5S2 and a molecular weight of 502.70 g/mol. Its IUPAC name is bis[3-cyclohexyl-5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone.

Molecular Properties

Compound Namebis[3-cyclohexyl-5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone
PubChem CID73011657
Molecular FormulaC27H34O5S2
Molecular Weight502.70 g/mol
Exact Mass502.18
IUPAC Namebis[3-cyclohexyl-5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone
SMILESO=C(c1sc(C2OCCO2)cc1C1CCCCC1)c1sc(C2OCCO2)cc1C1CCCCC1
InChIInChI=1S/C27H34O5S2/c28-23(24-19(17-7-3-1-4-8-17)15-21(33-24)26-29-11-12-30-26)25-20(18-9-5-2-6-10-18)16-22(34-25)27-31-13-14-32-27/h15-18,26-27H,1-14H2
InChIKeyAMJSBDAHLWXRAJ-UHFFFAOYSA-N
XLogP7.23
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.70
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

bis[2-cyclopentyl-4-(1,3-dioxolan-2-yl)phenyl]methanone
CID 73011709
methyl 3-amino-5-cyclododecylthiophene-2-carboxylate
CID 123337713
3-cyclobutyl-5-formylthiophene-2-carboxylic acid
CID 165449571
3-(oxan-4-yl)thiophene-2,5-dicarboxylic acid
CID 165449586
[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(2-methylphenyl)methanone
CID 24723482
(2-cyclohexylphenyl)-phenylmethanone
CID 22506424
2-chloro-5-cyclohexylthiophene-3-carboxylic acid
CID 114748450
[5-(1,3-dioxolan-2-yl)thiophen-2-yl]boronic acid
CID 119086872
2-bromo-3-cyclohexyl-5-iodothiophene
CID 101254960
3-cyclooctylpyran-2-one
CID 22113990
4,6-dicyclohexylbenzene-1,3-diol
CID 3020817
2-(5-methylthiophen-2-yl)-1,3-dioxolane
CID 55255317

Frequently Asked Questions

What is the IUPAC name of bis[3-cyclohexyl-5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone?
The IUPAC name of bis[3-cyclohexyl-5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone (CID 73011657) is bis[3-cyclohexyl-5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone.
What is the SMILES notation for bis[3-cyclohexyl-5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone?
The canonical SMILES for bis[3-cyclohexyl-5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone is O=C(c1sc(C2OCCO2)cc1C1CCCCC1)c1sc(C2OCCO2)cc1C1CCCCC1.
What is the InChIKey of bis[3-cyclohexyl-5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone?
The InChIKey is AMJSBDAHLWXRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34O5S2/c28-23(24-19(17-7-3-1-4-8-17)15-21(33-24)26-29-11-12-30-26)25-20(18-9-5-2-6-10-18)16-22(34-25)27-31-13-14-32-27/h15-18,26-27H,1-14H2.
What are the key properties of bis[3-cyclohexyl-5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone?
bis[3-cyclohexyl-5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone has a molecular weight of 502.70 g/mol, XLogP of 7.23, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-cyclohexyl-5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone is sourced from PubChem (CID 73011657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).