4-methoxy-4-methyl-1-thiophen-2-ylpentan-1-ol

C11H18O2S — CID 103028394

IUPAC4-methoxy-4-methyl-1-thiophen-2-ylpentan-1-ol
SMILESCOC(C)(C)CCC(O)c1cccs1
InChIInChI=1S/C11H18O2S/c1-11(2,13-3)7-6-9(12)10-5-4-8-14-10/h4-5,8-9,12H,6-7H2,1-3H3
InChIKeySFSJTSWCWGVXQI-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.99
Rot. Bonds5

About 4-methoxy-4-methyl-1-thiophen-2-ylpentan-1-ol

4-methoxy-4-methyl-1-thiophen-2-ylpentan-1-ol (PubChem CID 103028394) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-thiophen-2-ylpentan-1-ol.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-thiophen-2-ylpentan-1-ol
PubChem CID103028394
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name4-methoxy-4-methyl-1-thiophen-2-ylpentan-1-ol
SMILESCOC(C)(C)CCC(O)c1cccs1
InChIInChI=1S/C11H18O2S/c1-11(2,13-3)7-6-9(12)10-5-4-8-14-10/h4-5,8-9,12H,6-7H2,1-3H3
InChIKeySFSJTSWCWGVXQI-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028130
4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103028171
4-methoxy-1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 103028229
1-(5-bromothiophen-3-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028428
1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028329
(5-methoxy-5-methyl-1-thiophen-2-ylhexan-2-yl)hydrazine
CID 103026513
tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
CID 12071428
4-methoxy-1-(6-methoxy-2-pyridinyl)-4-methylpentan-1-ol
CID 103348199
2-(3,3-dimethylbutylamino)-1-thiophen-2-ylethanol
CID 115581040
2-[(2-methylpropan-2-yl)oxyamino]-1-thiophen-2-ylethanol
CID 82724870
3-ethylsulfanyl-1-thiophen-2-ylpropan-1-ol
CID 116504809

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-thiophen-2-ylpentan-1-ol?
The IUPAC name of 4-methoxy-4-methyl-1-thiophen-2-ylpentan-1-ol (CID 103028394) is 4-methoxy-4-methyl-1-thiophen-2-ylpentan-1-ol.
What is the SMILES notation for 4-methoxy-4-methyl-1-thiophen-2-ylpentan-1-ol?
The canonical SMILES for 4-methoxy-4-methyl-1-thiophen-2-ylpentan-1-ol is COC(C)(C)CCC(O)c1cccs1.
What is the InChIKey of 4-methoxy-4-methyl-1-thiophen-2-ylpentan-1-ol?
The InChIKey is SFSJTSWCWGVXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c1-11(2,13-3)7-6-9(12)10-5-4-8-14-10/h4-5,8-9,12H,6-7H2,1-3H3.
What are the key properties of 4-methoxy-4-methyl-1-thiophen-2-ylpentan-1-ol?
4-methoxy-4-methyl-1-thiophen-2-ylpentan-1-ol has a molecular weight of 214.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-thiophen-2-ylpentan-1-ol is sourced from PubChem (CID 103028394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).