2-thiophen-2-yl-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-ol

C17H26OS — CID 10468795

IUPAC2-thiophen-2-yl-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-ol
SMILESCC1=C(CCC(C)(O)c2cccs2)C(C)(C)CCC1
InChIInChI=1S/C17H26OS/c1-13-7-5-10-16(2,3)14(13)9-11-17(4,18)15-8-6-12-19-15/h6,8,12,18H,5,7,9-11H2,1-4H3
InChIKeyILKGETIXDAHPOO-UHFFFAOYSA-N
MW278.46 g/mol
LogP5.26
Rot. Bonds4

About 2-thiophen-2-yl-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-ol

2-thiophen-2-yl-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-ol (PubChem CID 10468795) has the molecular formula C17H26OS and a molecular weight of 278.46 g/mol. Its IUPAC name is 2-thiophen-2-yl-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-ol.

Molecular Properties

Compound Name2-thiophen-2-yl-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-ol
PubChem CID10468795
Molecular FormulaC17H26OS
Molecular Weight278.46 g/mol
Exact Mass278.17
IUPAC Name2-thiophen-2-yl-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-ol
SMILESCC1=C(CCC(C)(O)c2cccs2)C(C)(C)CCC1
InChIInChI=1S/C17H26OS/c1-13-7-5-10-16(2,3)14(13)9-11-17(4,18)15-8-6-12-19-15/h6,8,12,18H,5,7,9-11H2,1-4H3
InChIKeyILKGETIXDAHPOO-UHFFFAOYSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.46
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-thiophen-2-yl-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-ol with MolForge

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Related Compounds

Phenyl(2-thienyl)methanol
CID 2741016
Diphenyl(thiophen-2-yl)methanol
CID 315631
2-(Thiophen-2-yl)pent-4-yn-2-ol
CID 22404511
Diphenyl(thiophen-3-yl)methanol
CID 315629
2-Thiophen-2-ylpent-4-en-2-ol
CID 11229020
(E)-2-thiophen-3-yl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol
CID 46889227
2-(Thiophen-2-yl)propan-2-ol
CID 220065
1-Phenyl-1-(2-thienyl)ethan-1-ol
CID 4259300
Methylthienylpropanol
CID 11030069
3-Methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 122379921
4,4,4-Trifluoro-2-thiophen-2-ylbutan-2-ol
CID 135044246
(2S)-4,4,4-trifluoro-2-thiophen-2-ylbutan-2-ol
CID 164670396

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-ol?
The IUPAC name of 2-thiophen-2-yl-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-ol (CID 10468795) is 2-thiophen-2-yl-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-ol.
What is the SMILES notation for 2-thiophen-2-yl-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-ol?
The canonical SMILES for 2-thiophen-2-yl-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-ol is CC1=C(CCC(C)(O)c2cccs2)C(C)(C)CCC1.
What is the InChIKey of 2-thiophen-2-yl-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-ol?
The InChIKey is ILKGETIXDAHPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26OS/c1-13-7-5-10-16(2,3)14(13)9-11-17(4,18)15-8-6-12-19-15/h6,8,12,18H,5,7,9-11H2,1-4H3.
What are the key properties of 2-thiophen-2-yl-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-ol?
2-thiophen-2-yl-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-ol has a molecular weight of 278.46 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-ol is sourced from PubChem (CID 10468795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).