1,7,7-trimethyl-2-thiophen-2-ylbicyclo[2.2.1]heptan-2-ol

C14H20OS — CID 20530285

IUPAC1,7,7-trimethyl-2-thiophen-2-ylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(C)C(O)(c1cccs1)C2
InChIInChI=1S/C14H20OS/c1-12(2)10-6-7-13(12,3)14(15,9-10)11-5-4-8-16-11/h4-5,8,10,15H,6-7,9H2,1-3H3
InChIKeyVVYJANBTMNEQFV-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.78
Rot. Bonds1

About 1,7,7-trimethyl-2-thiophen-2-ylbicyclo[2.2.1]heptan-2-ol

1,7,7-trimethyl-2-thiophen-2-ylbicyclo[2.2.1]heptan-2-ol (PubChem CID 20530285) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is 1,7,7-trimethyl-2-thiophen-2-ylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name1,7,7-trimethyl-2-thiophen-2-ylbicyclo[2.2.1]heptan-2-ol
PubChem CID20530285
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name1,7,7-trimethyl-2-thiophen-2-ylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(C)C(O)(c1cccs1)C2
InChIInChI=1S/C14H20OS/c1-12(2)10-6-7-13(12,3)14(15,9-10)11-5-4-8-16-11/h4-5,8,10,15H,6-7,9H2,1-3H3
InChIKeyVVYJANBTMNEQFV-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-2-thiophen-2-ylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 1,7,7-trimethyl-2-thiophen-2-ylbicyclo[2.2.1]heptan-2-ol (CID 20530285) is 1,7,7-trimethyl-2-thiophen-2-ylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 1,7,7-trimethyl-2-thiophen-2-ylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 1,7,7-trimethyl-2-thiophen-2-ylbicyclo[2.2.1]heptan-2-ol is CC1(C)C2CCC1(C)C(O)(c1cccs1)C2.
What is the InChIKey of 1,7,7-trimethyl-2-thiophen-2-ylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is VVYJANBTMNEQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c1-12(2)10-6-7-13(12,3)14(15,9-10)11-5-4-8-16-11/h4-5,8,10,15H,6-7,9H2,1-3H3.
What are the key properties of 1,7,7-trimethyl-2-thiophen-2-ylbicyclo[2.2.1]heptan-2-ol?
1,7,7-trimethyl-2-thiophen-2-ylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 236.38 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-2-thiophen-2-ylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 20530285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).