(2,2-dimethylcyclopropyl)-(3-methylthiophen-2-yl)methanol

C11H16OS — CID 107002507

IUPAC(2,2-dimethylcyclopropyl)-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)C1CC1(C)C
InChIInChI=1S/C11H16OS/c1-7-4-5-13-10(7)9(12)8-6-11(8,2)3/h4-5,8-9,12H,6H2,1-3H3
InChIKeyMSKXOSKVVLYSIE-UHFFFAOYSA-N
MW196.31 g/mol
LogP3.14
Rot. Bonds2

About (2,2-dimethylcyclopropyl)-(3-methylthiophen-2-yl)methanol

(2,2-dimethylcyclopropyl)-(3-methylthiophen-2-yl)methanol (PubChem CID 107002507) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(3-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(3-methylthiophen-2-yl)methanol
PubChem CID107002507
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name(2,2-dimethylcyclopropyl)-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)C1CC1(C)C
InChIInChI=1S/C11H16OS/c1-7-4-5-13-10(7)9(12)8-6-11(8,2)3/h4-5,8-9,12H,6H2,1-3H3
InChIKeyMSKXOSKVVLYSIE-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-(3-methylthiophen-2-yl)methanol?
The IUPAC name of (2,2-dimethylcyclopropyl)-(3-methylthiophen-2-yl)methanol (CID 107002507) is (2,2-dimethylcyclopropyl)-(3-methylthiophen-2-yl)methanol.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(3-methylthiophen-2-yl)methanol?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(3-methylthiophen-2-yl)methanol is Cc1ccsc1C(O)C1CC1(C)C.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(3-methylthiophen-2-yl)methanol?
The InChIKey is MSKXOSKVVLYSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-7-4-5-13-10(7)9(12)8-6-11(8,2)3/h4-5,8-9,12H,6H2,1-3H3.
What are the key properties of (2,2-dimethylcyclopropyl)-(3-methylthiophen-2-yl)methanol?
(2,2-dimethylcyclopropyl)-(3-methylthiophen-2-yl)methanol has a molecular weight of 196.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-(3-methylthiophen-2-yl)methanol is sourced from PubChem (CID 107002507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).