1-propan-2-ylsulfanylhept-6-en-2-ol

C10H20OS — CID 65131467

IUPAC1-propan-2-ylsulfanylhept-6-en-2-ol
SMILESC=CCCCC(O)CSC(C)C
InChIInChI=1S/C10H20OS/c1-4-5-6-7-10(11)8-12-9(2)3/h4,9-11H,1,5-8H2,2-3H3
InChIKeyJIAGWFCJHLFAOR-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.85
Rot. Bonds7

About 1-propan-2-ylsulfanylhept-6-en-2-ol

1-propan-2-ylsulfanylhept-6-en-2-ol (PubChem CID 65131467) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 1-propan-2-ylsulfanylhept-6-en-2-ol.

Molecular Properties

Compound Name1-propan-2-ylsulfanylhept-6-en-2-ol
PubChem CID65131467
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name1-propan-2-ylsulfanylhept-6-en-2-ol
SMILESC=CCCCC(O)CSC(C)C
InChIInChI=1S/C10H20OS/c1-4-5-6-7-10(11)8-12-9(2)3/h4,9-11H,1,5-8H2,2-3H3
InChIKeyJIAGWFCJHLFAOR-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfanylhept-6-en-2-ol?
The IUPAC name of 1-propan-2-ylsulfanylhept-6-en-2-ol (CID 65131467) is 1-propan-2-ylsulfanylhept-6-en-2-ol.
What is the SMILES notation for 1-propan-2-ylsulfanylhept-6-en-2-ol?
The canonical SMILES for 1-propan-2-ylsulfanylhept-6-en-2-ol is C=CCCCC(O)CSC(C)C.
What is the InChIKey of 1-propan-2-ylsulfanylhept-6-en-2-ol?
The InChIKey is JIAGWFCJHLFAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-4-5-6-7-10(11)8-12-9(2)3/h4,9-11H,1,5-8H2,2-3H3.
What are the key properties of 1-propan-2-ylsulfanylhept-6-en-2-ol?
1-propan-2-ylsulfanylhept-6-en-2-ol has a molecular weight of 188.34 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfanylhept-6-en-2-ol is sourced from PubChem (CID 65131467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).