5-butan-2-ylsulfanyl-4-methylpent-1-en-3-ol

C10H20OS — CID 88832079

IUPAC5-butan-2-ylsulfanyl-4-methylpent-1-en-3-ol
SMILESC=CC(O)C(C)CSC(C)CC
InChIInChI=1S/C10H20OS/c1-5-9(4)12-7-8(3)10(11)6-2/h6,8-11H,2,5,7H2,1,3-4H3
InChIKeyHGXSYGDDKBPNNY-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.70
Rot. Bonds6

About 5-butan-2-ylsulfanyl-4-methylpent-1-en-3-ol

5-butan-2-ylsulfanyl-4-methylpent-1-en-3-ol (PubChem CID 88832079) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 5-butan-2-ylsulfanyl-4-methylpent-1-en-3-ol.

Molecular Properties

Compound Name5-butan-2-ylsulfanyl-4-methylpent-1-en-3-ol
PubChem CID88832079
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name5-butan-2-ylsulfanyl-4-methylpent-1-en-3-ol
SMILESC=CC(O)C(C)CSC(C)CC
InChIInChI=1S/C10H20OS/c1-5-9(4)12-7-8(3)10(11)6-2/h6,8-11H,2,5,7H2,1,3-4H3
InChIKeyHGXSYGDDKBPNNY-UHFFFAOYSA-N
XLogP2.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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 5-butan-2-ylsulfanyl-4-methylpent-1-en-3-ol?
The IUPAC name of 5-butan-2-ylsulfanyl-4-methylpent-1-en-3-ol (CID 88832079) is 5-butan-2-ylsulfanyl-4-methylpent-1-en-3-ol.
What is the SMILES notation for 5-butan-2-ylsulfanyl-4-methylpent-1-en-3-ol?
The canonical SMILES for 5-butan-2-ylsulfanyl-4-methylpent-1-en-3-ol is C=CC(O)C(C)CSC(C)CC.
What is the InChIKey of 5-butan-2-ylsulfanyl-4-methylpent-1-en-3-ol?
The InChIKey is HGXSYGDDKBPNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-5-9(4)12-7-8(3)10(11)6-2/h6,8-11H,2,5,7H2,1,3-4H3.
What are the key properties of 5-butan-2-ylsulfanyl-4-methylpent-1-en-3-ol?
5-butan-2-ylsulfanyl-4-methylpent-1-en-3-ol has a molecular weight of 188.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-ylsulfanyl-4-methylpent-1-en-3-ol is sourced from PubChem (CID 88832079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).