(E,6R)-6,10-dimethyl-1-phenylsulfanylundec-3-ene-2,10-diol

C19H30O2S — CID 22814172

IUPAC(E,6R)-6,10-dimethyl-1-phenylsulfanylundec-3-ene-2,10-diol
SMILESC[C@@H](C/C=C/C(O)CSc1ccccc1)CCCC(C)(C)O
InChIInChI=1S/C19H30O2S/c1-16(10-8-14-19(2,3)21)9-7-11-17(20)15-22-18-12-5-4-6-13-18/h4-7,11-13,16-17,20-21H,8-10,14-15H2,1-3H3/b11-7+/t16-,17?/m0/s1
InChIKeyHPOSUNDVJQHMJJ-KHJFIDMZSA-N
MW322.51 g/mol
LogP4.66
Rot. Bonds10

About (E,6R)-6,10-dimethyl-1-phenylsulfanylundec-3-ene-2,10-diol

(E,6R)-6,10-dimethyl-1-phenylsulfanylundec-3-ene-2,10-diol (PubChem CID 22814172) has the molecular formula C19H30O2S and a molecular weight of 322.51 g/mol. Its IUPAC name is (E,6R)-6,10-dimethyl-1-phenylsulfanylundec-3-ene-2,10-diol.

Molecular Properties

Compound Name(E,6R)-6,10-dimethyl-1-phenylsulfanylundec-3-ene-2,10-diol
PubChem CID22814172
Molecular FormulaC19H30O2S
Molecular Weight322.51 g/mol
Exact Mass322.20
IUPAC Name(E,6R)-6,10-dimethyl-1-phenylsulfanylundec-3-ene-2,10-diol
SMILESC[C@@H](C/C=C/C(O)CSc1ccccc1)CCCC(C)(C)O
InChIInChI=1S/C19H30O2S/c1-16(10-8-14-19(2,3)21)9-7-11-17(20)15-22-18-12-5-4-6-13-18/h4-7,11-13,16-17,20-21H,8-10,14-15H2,1-3H3/b11-7+/t16-,17?/m0/s1
InChIKeyHPOSUNDVJQHMJJ-KHJFIDMZSA-N
XLogP4.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.51
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E,6R)-6,10-dimethyl-1-phenylsulfanylundec-3-ene-2,10-diol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (E,6R)-6,10-dimethyl-1-phenylsulfanylundec-3-ene-2,10-diol?
The IUPAC name of (E,6R)-6,10-dimethyl-1-phenylsulfanylundec-3-ene-2,10-diol (CID 22814172) is (E,6R)-6,10-dimethyl-1-phenylsulfanylundec-3-ene-2,10-diol.
What is the SMILES notation for (E,6R)-6,10-dimethyl-1-phenylsulfanylundec-3-ene-2,10-diol?
The canonical SMILES for (E,6R)-6,10-dimethyl-1-phenylsulfanylundec-3-ene-2,10-diol is C[C@@H](C/C=C/C(O)CSc1ccccc1)CCCC(C)(C)O.
What is the InChIKey of (E,6R)-6,10-dimethyl-1-phenylsulfanylundec-3-ene-2,10-diol?
The InChIKey is HPOSUNDVJQHMJJ-KHJFIDMZSA-N. The full InChI is InChI=1S/C19H30O2S/c1-16(10-8-14-19(2,3)21)9-7-11-17(20)15-22-18-12-5-4-6-13-18/h4-7,11-13,16-17,20-21H,8-10,14-15H2,1-3H3/b11-7+/t16-,17?/m0/s1.
What are the key properties of (E,6R)-6,10-dimethyl-1-phenylsulfanylundec-3-ene-2,10-diol?
(E,6R)-6,10-dimethyl-1-phenylsulfanylundec-3-ene-2,10-diol has a molecular weight of 322.51 g/mol, XLogP of 4.66, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R)-6,10-dimethyl-1-phenylsulfanylundec-3-ene-2,10-diol is sourced from PubChem (CID 22814172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).