(E)-5-ethylsulfanyl-5-methyl-2-propan-2-ylhex-3-en-1-ol

C12H24OS — CID 10632539

IUPAC(E)-5-ethylsulfanyl-5-methyl-2-propan-2-ylhex-3-en-1-ol
SMILESCCSC(C)(C)/C=C/C(CO)C(C)C
InChIInChI=1S/C12H24OS/c1-6-14-12(4,5)8-7-11(9-13)10(2)3/h7-8,10-11,13H,6,9H2,1-5H3/b8-7+
InChIKeyFGEHHQGSSBZSRZ-BQYQJAHWSA-N
MW216.39 g/mol
LogP3.34
Rot. Bonds6

About (E)-5-ethylsulfanyl-5-methyl-2-propan-2-ylhex-3-en-1-ol

(E)-5-ethylsulfanyl-5-methyl-2-propan-2-ylhex-3-en-1-ol (PubChem CID 10632539) has the molecular formula C12H24OS and a molecular weight of 216.39 g/mol. Its IUPAC name is (E)-5-ethylsulfanyl-5-methyl-2-propan-2-ylhex-3-en-1-ol.

Molecular Properties

Compound Name(E)-5-ethylsulfanyl-5-methyl-2-propan-2-ylhex-3-en-1-ol
PubChem CID10632539
Molecular FormulaC12H24OS
Molecular Weight216.39 g/mol
Exact Mass216.15
IUPAC Name(E)-5-ethylsulfanyl-5-methyl-2-propan-2-ylhex-3-en-1-ol
SMILESCCSC(C)(C)/C=C/C(CO)C(C)C
InChIInChI=1S/C12H24OS/c1-6-14-12(4,5)8-7-11(9-13)10(2)3/h7-8,10-11,13H,6,9H2,1-5H3/b8-7+
InChIKeyFGEHHQGSSBZSRZ-BQYQJAHWSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 53.34
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 (E)-5-ethylsulfanyl-5-methyl-2-propan-2-ylhex-3-en-1-ol?
The IUPAC name of (E)-5-ethylsulfanyl-5-methyl-2-propan-2-ylhex-3-en-1-ol (CID 10632539) is (E)-5-ethylsulfanyl-5-methyl-2-propan-2-ylhex-3-en-1-ol.
What is the SMILES notation for (E)-5-ethylsulfanyl-5-methyl-2-propan-2-ylhex-3-en-1-ol?
The canonical SMILES for (E)-5-ethylsulfanyl-5-methyl-2-propan-2-ylhex-3-en-1-ol is CCSC(C)(C)/C=C/C(CO)C(C)C.
What is the InChIKey of (E)-5-ethylsulfanyl-5-methyl-2-propan-2-ylhex-3-en-1-ol?
The InChIKey is FGEHHQGSSBZSRZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H24OS/c1-6-14-12(4,5)8-7-11(9-13)10(2)3/h7-8,10-11,13H,6,9H2,1-5H3/b8-7+.
What are the key properties of (E)-5-ethylsulfanyl-5-methyl-2-propan-2-ylhex-3-en-1-ol?
(E)-5-ethylsulfanyl-5-methyl-2-propan-2-ylhex-3-en-1-ol has a molecular weight of 216.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-ethylsulfanyl-5-methyl-2-propan-2-ylhex-3-en-1-ol is sourced from PubChem (CID 10632539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).