(1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanone

C15H22O2S — CID 116750224

IUPAC(1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanone
SMILESCOC1(C(=O)c2ccc(C)s2)CCC(C)(C)CC1
InChIInChI=1S/C15H22O2S/c1-11-5-6-12(18-11)13(16)15(17-4)9-7-14(2,3)8-10-15/h5-6H,7-10H2,1-4H3
InChIKeyJIHQSDFPBZQRHH-UHFFFAOYSA-N
MW266.41 g/mol
LogP4.22
Rot. Bonds3

About (1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanone

(1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanone (PubChem CID 116750224) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is (1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanone
PubChem CID116750224
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name(1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanone
SMILESCOC1(C(=O)c2ccc(C)s2)CCC(C)(C)CC1
InChIInChI=1S/C15H22O2S/c1-11-5-6-12(18-11)13(16)15(17-4)9-7-14(2,3)8-10-15/h5-6H,7-10H2,1-4H3
InChIKeyJIHQSDFPBZQRHH-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methoxycycloheptyl)-(5-methylthiophen-2-yl)methanone
CID 116750454
(1-methoxy-4,4-dimethylcyclohexyl)-(3-methylthiophen-2-yl)methanone
CID 116750323
(1-ethoxycyclopentyl)-(5-methylthiophen-2-yl)methanone
CID 116747750
(2,5-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone
CID 116750353
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 103726749
2-(1-methylcyclopropyl)-1-(5-methylthiophen-2-yl)ethanone
CID 131151079
1-methoxy-4,4-dimethylcyclohexane-1-carboxylic acid
CID 83225553
(1-methoxycyclobutyl)-thiophen-2-ylmethanone
CID 116707010
(1-methoxycycloheptyl)-thiophen-2-ylmethanone
CID 116750550
N-(2-bromocyclohexyl)-N,5-dimethylthiophene-2-carboxamide
CID 102638491
1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-one
CID 116750377
(1-methoxycyclopentyl)-(3-methylthiophen-2-yl)methanone
CID 104610097

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanone (CID 116750224) is (1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanone is COC1(C(=O)c2ccc(C)s2)CCC(C)(C)CC1.
What is the InChIKey of (1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is JIHQSDFPBZQRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2S/c1-11-5-6-12(18-11)13(16)15(17-4)9-7-14(2,3)8-10-15/h5-6H,7-10H2,1-4H3.
What are the key properties of (1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanone?
(1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanone has a molecular weight of 266.41 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 116750224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).