3-methyl-1-(thian-2-yl)pentan-1-ol

C11H22OS — CID 80621983

IUPAC3-methyl-1-(thian-2-yl)pentan-1-ol
SMILESCCC(C)CC(O)C1CCCCS1
InChIInChI=1S/C11H22OS/c1-3-9(2)8-10(12)11-6-4-5-7-13-11/h9-12H,3-8H2,1-2H3
InChIKeyVDILPCXYUPZWOQ-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.07
Rot. Bonds4

About 3-methyl-1-(thian-2-yl)pentan-1-ol

3-methyl-1-(thian-2-yl)pentan-1-ol (PubChem CID 80621983) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is 3-methyl-1-(thian-2-yl)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(thian-2-yl)pentan-1-ol
PubChem CID80621983
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name3-methyl-1-(thian-2-yl)pentan-1-ol
SMILESCCC(C)CC(O)C1CCCCS1
InChIInChI=1S/C11H22OS/c1-3-9(2)8-10(12)11-6-4-5-7-13-11/h9-12H,3-8H2,1-2H3
InChIKeyVDILPCXYUPZWOQ-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(thian-2-yl)pentan-1-ol?
The IUPAC name of 3-methyl-1-(thian-2-yl)pentan-1-ol (CID 80621983) is 3-methyl-1-(thian-2-yl)pentan-1-ol.
What is the SMILES notation for 3-methyl-1-(thian-2-yl)pentan-1-ol?
The canonical SMILES for 3-methyl-1-(thian-2-yl)pentan-1-ol is CCC(C)CC(O)C1CCCCS1.
What is the InChIKey of 3-methyl-1-(thian-2-yl)pentan-1-ol?
The InChIKey is VDILPCXYUPZWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-3-9(2)8-10(12)11-6-4-5-7-13-11/h9-12H,3-8H2,1-2H3.
What are the key properties of 3-methyl-1-(thian-2-yl)pentan-1-ol?
3-methyl-1-(thian-2-yl)pentan-1-ol has a molecular weight of 202.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(thian-2-yl)pentan-1-ol is sourced from PubChem (CID 80621983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).