2-methyl-4-propan-2-ylsulfanylhex-5-en-3-ol

C10H20OS — CID 13025028

IUPAC2-methyl-4-propan-2-ylsulfanylhex-5-en-3-ol
SMILESC=CC(SC(C)C)C(O)C(C)C
InChIInChI=1S/C10H20OS/c1-6-9(12-8(4)5)10(11)7(2)3/h6-11H,1H2,2-5H3
InChIKeyFSOYHHMAXYCGLB-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.70
Rot. Bonds5

About 2-methyl-4-propan-2-ylsulfanylhex-5-en-3-ol

2-methyl-4-propan-2-ylsulfanylhex-5-en-3-ol (PubChem CID 13025028) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-methyl-4-propan-2-ylsulfanylhex-5-en-3-ol.

Molecular Properties

Compound Name2-methyl-4-propan-2-ylsulfanylhex-5-en-3-ol
PubChem CID13025028
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name2-methyl-4-propan-2-ylsulfanylhex-5-en-3-ol
SMILESC=CC(SC(C)C)C(O)C(C)C
InChIInChI=1S/C10H20OS/c1-6-9(12-8(4)5)10(11)7(2)3/h6-11H,1H2,2-5H3
InChIKeyFSOYHHMAXYCGLB-UHFFFAOYSA-N
XLogP2.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-ylsulfanylhex-5-en-3-ol?
The IUPAC name of 2-methyl-4-propan-2-ylsulfanylhex-5-en-3-ol (CID 13025028) is 2-methyl-4-propan-2-ylsulfanylhex-5-en-3-ol.
What is the SMILES notation for 2-methyl-4-propan-2-ylsulfanylhex-5-en-3-ol?
The canonical SMILES for 2-methyl-4-propan-2-ylsulfanylhex-5-en-3-ol is C=CC(SC(C)C)C(O)C(C)C.
What is the InChIKey of 2-methyl-4-propan-2-ylsulfanylhex-5-en-3-ol?
The InChIKey is FSOYHHMAXYCGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-6-9(12-8(4)5)10(11)7(2)3/h6-11H,1H2,2-5H3.
What are the key properties of 2-methyl-4-propan-2-ylsulfanylhex-5-en-3-ol?
2-methyl-4-propan-2-ylsulfanylhex-5-en-3-ol has a molecular weight of 188.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-ylsulfanylhex-5-en-3-ol is sourced from PubChem (CID 13025028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).