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

C9H18OS — CID 134906015

IUPAC4-propan-2-ylsulfanylhex-5-en-3-ol
SMILESC=CC(SC(C)C)C(O)CC
InChIInChI=1S/C9H18OS/c1-5-8(10)9(6-2)11-7(3)4/h6-10H,2,5H2,1,3-4H3
InChIKeyYGTWODRALJBLKJ-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.45
Rot. Bonds5

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

4-propan-2-ylsulfanylhex-5-en-3-ol (PubChem CID 134906015) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is 4-propan-2-ylsulfanylhex-5-en-3-ol.

Molecular Properties

Compound Name4-propan-2-ylsulfanylhex-5-en-3-ol
PubChem CID134906015
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name4-propan-2-ylsulfanylhex-5-en-3-ol
SMILESC=CC(SC(C)C)C(O)CC
InChIInChI=1S/C9H18OS/c1-5-8(10)9(6-2)11-7(3)4/h6-10H,2,5H2,1,3-4H3
InChIKeyYGTWODRALJBLKJ-UHFFFAOYSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.45
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 4-propan-2-ylsulfanylhex-5-en-3-ol?
The IUPAC name of 4-propan-2-ylsulfanylhex-5-en-3-ol (CID 134906015) is 4-propan-2-ylsulfanylhex-5-en-3-ol.
What is the SMILES notation for 4-propan-2-ylsulfanylhex-5-en-3-ol?
The canonical SMILES for 4-propan-2-ylsulfanylhex-5-en-3-ol is C=CC(SC(C)C)C(O)CC.
What is the InChIKey of 4-propan-2-ylsulfanylhex-5-en-3-ol?
The InChIKey is YGTWODRALJBLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS/c1-5-8(10)9(6-2)11-7(3)4/h6-10H,2,5H2,1,3-4H3.
What are the key properties of 4-propan-2-ylsulfanylhex-5-en-3-ol?
4-propan-2-ylsulfanylhex-5-en-3-ol has a molecular weight of 174.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylsulfanylhex-5-en-3-ol is sourced from PubChem (CID 134906015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).