(E)-6-propan-2-ylsulfanylhex-5-en-3-ol

C9H18OS — CID 134906046

IUPAC(E)-6-propan-2-ylsulfanylhex-5-en-3-ol
SMILESCCC(O)C/C=C/SC(C)C
InChIInChI=1S/C9H18OS/c1-4-9(10)6-5-7-11-8(2)3/h5,7-10H,4,6H2,1-3H3/b7-5+
InChIKeyLZIWMQQDBCEKQP-FNORWQNLSA-N
MW174.31 g/mol
LogP2.80
Rot. Bonds5

About (E)-6-propan-2-ylsulfanylhex-5-en-3-ol

(E)-6-propan-2-ylsulfanylhex-5-en-3-ol (PubChem CID 134906046) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is (E)-6-propan-2-ylsulfanylhex-5-en-3-ol.

Molecular Properties

Compound Name(E)-6-propan-2-ylsulfanylhex-5-en-3-ol
PubChem CID134906046
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name(E)-6-propan-2-ylsulfanylhex-5-en-3-ol
SMILESCCC(O)C/C=C/SC(C)C
InChIInChI=1S/C9H18OS/c1-4-9(10)6-5-7-11-8(2)3/h5,7-10H,4,6H2,1-3H3/b7-5+
InChIKeyLZIWMQQDBCEKQP-FNORWQNLSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-6-propan-2-ylsulfanylhex-5-en-3-ol?
The IUPAC name of (E)-6-propan-2-ylsulfanylhex-5-en-3-ol (CID 134906046) is (E)-6-propan-2-ylsulfanylhex-5-en-3-ol.
What is the SMILES notation for (E)-6-propan-2-ylsulfanylhex-5-en-3-ol?
The canonical SMILES for (E)-6-propan-2-ylsulfanylhex-5-en-3-ol is CCC(O)C/C=C/SC(C)C.
What is the InChIKey of (E)-6-propan-2-ylsulfanylhex-5-en-3-ol?
The InChIKey is LZIWMQQDBCEKQP-FNORWQNLSA-N. The full InChI is InChI=1S/C9H18OS/c1-4-9(10)6-5-7-11-8(2)3/h5,7-10H,4,6H2,1-3H3/b7-5+.
What are the key properties of (E)-6-propan-2-ylsulfanylhex-5-en-3-ol?
(E)-6-propan-2-ylsulfanylhex-5-en-3-ol has a molecular weight of 174.31 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-propan-2-ylsulfanylhex-5-en-3-ol is sourced from PubChem (CID 134906046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).