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

C10H20OS — CID 13263784

IUPAC(E)-2-methyl-6-propan-2-ylsulfanylhex-5-en-3-ol
SMILESCC(C)S/C=C/CC(O)C(C)C
InChIInChI=1S/C10H20OS/c1-8(2)10(11)6-5-7-12-9(3)4/h5,7-11H,6H2,1-4H3/b7-5+
InChIKeyIAZPJVNOGGELGQ-FNORWQNLSA-N
MW188.34 g/mol
LogP3.05
Rot. Bonds5

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

(E)-2-methyl-6-propan-2-ylsulfanylhex-5-en-3-ol (PubChem CID 13263784) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is (E)-2-methyl-6-propan-2-ylsulfanylhex-5-en-3-ol.

Molecular Properties

Compound Name(E)-2-methyl-6-propan-2-ylsulfanylhex-5-en-3-ol
PubChem CID13263784
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name(E)-2-methyl-6-propan-2-ylsulfanylhex-5-en-3-ol
SMILESCC(C)S/C=C/CC(O)C(C)C
InChIInChI=1S/C10H20OS/c1-8(2)10(11)6-5-7-12-9(3)4/h5,7-11H,6H2,1-4H3/b7-5+
InChIKeyIAZPJVNOGGELGQ-FNORWQNLSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-6-propan-2-ylsulfanylhex-5-en-3-ol?
The IUPAC name of (E)-2-methyl-6-propan-2-ylsulfanylhex-5-en-3-ol (CID 13263784) is (E)-2-methyl-6-propan-2-ylsulfanylhex-5-en-3-ol.
What is the SMILES notation for (E)-2-methyl-6-propan-2-ylsulfanylhex-5-en-3-ol?
The canonical SMILES for (E)-2-methyl-6-propan-2-ylsulfanylhex-5-en-3-ol is CC(C)S/C=C/CC(O)C(C)C.
What is the InChIKey of (E)-2-methyl-6-propan-2-ylsulfanylhex-5-en-3-ol?
The InChIKey is IAZPJVNOGGELGQ-FNORWQNLSA-N. The full InChI is InChI=1S/C10H20OS/c1-8(2)10(11)6-5-7-12-9(3)4/h5,7-11H,6H2,1-4H3/b7-5+.
What are the key properties of (E)-2-methyl-6-propan-2-ylsulfanylhex-5-en-3-ol?
(E)-2-methyl-6-propan-2-ylsulfanylhex-5-en-3-ol has a molecular weight of 188.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-6-propan-2-ylsulfanylhex-5-en-3-ol is sourced from PubChem (CID 13263784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).