(Z)-4,4-dimethyl-1-methylsulfanyl-1-prop-2-enylsulfanylpent-1-en-3-ol

C11H20OS2 — CID 10944329

IUPAC(Z)-4,4-dimethyl-1-methylsulfanyl-1-prop-2-enylsulfanylpent-1-en-3-ol
SMILESC=CCS/C(=C\C(O)C(C)(C)C)SC
InChIInChI=1S/C11H20OS2/c1-6-7-14-10(13-5)8-9(12)11(2,3)4/h6,8-9,12H,1,7H2,2-5H3/b10-8-
InChIKeyNEMNBBMUOWTVJB-NTMALXAHSA-N
MW232.41 g/mol
LogP3.52
Rot. Bonds5

About (Z)-4,4-dimethyl-1-methylsulfanyl-1-prop-2-enylsulfanylpent-1-en-3-ol

(Z)-4,4-dimethyl-1-methylsulfanyl-1-prop-2-enylsulfanylpent-1-en-3-ol (PubChem CID 10944329) has the molecular formula C11H20OS2 and a molecular weight of 232.41 g/mol. Its IUPAC name is (Z)-4,4-dimethyl-1-methylsulfanyl-1-prop-2-enylsulfanylpent-1-en-3-ol.

Molecular Properties

Compound Name(Z)-4,4-dimethyl-1-methylsulfanyl-1-prop-2-enylsulfanylpent-1-en-3-ol
PubChem CID10944329
Molecular FormulaC11H20OS2
Molecular Weight232.41 g/mol
Exact Mass232.10
IUPAC Name(Z)-4,4-dimethyl-1-methylsulfanyl-1-prop-2-enylsulfanylpent-1-en-3-ol
SMILESC=CCS/C(=C\C(O)C(C)(C)C)SC
InChIInChI=1S/C11H20OS2/c1-6-7-14-10(13-5)8-9(12)11(2,3)4/h6,8-9,12H,1,7H2,2-5H3/b10-8-
InChIKeyNEMNBBMUOWTVJB-NTMALXAHSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-[(1R)-1-hydroxy-2,2-dimethylpropyl]pent-4-enedithioate
CID 11053518
(3S)-1,1-diethoxy-4,4-dimethylpent-1-en-3-ol
CID 93476510
(2S)-2-amino-3-methyl-3-prop-2-enylsulfanylbutanoic acid
CID 13127849
2-methyl-3-prop-2-enylsulfanylbutane
CID 525492
prop-2-enylsulfanylmethanethioic S-acid
CID 87246212
2,5-bis(prop-2-enylsulfanyl)hex-3-yne
CID 10962296
4,4-difluoro-2,2-dimethylhex-5-en-3-ol
CID 12591139
2-prop-2-enylsulfanylprop-2-ene-1-thiol
CID 173025235
3,3-dimethyl-2-[(2-prop-2-enylsulfanylacetyl)amino]butanoic acid
CID 115730737
prop-2-enyl (1Z)-2,2,2-trifluoro-N-hydroxyethanimidothioate
CID 13003322
(4S,5Z)-7-ethyl-5-methylnona-1,5-dien-4-ol
CID 58129544
1-methoxy-4,4-dimethylpent-1-ene-1,3-diol;pentane-2,4-diol;titanium
CID 146899661

Frequently Asked Questions

What is the IUPAC name of (Z)-4,4-dimethyl-1-methylsulfanyl-1-prop-2-enylsulfanylpent-1-en-3-ol?
The IUPAC name of (Z)-4,4-dimethyl-1-methylsulfanyl-1-prop-2-enylsulfanylpent-1-en-3-ol (CID 10944329) is (Z)-4,4-dimethyl-1-methylsulfanyl-1-prop-2-enylsulfanylpent-1-en-3-ol.
What is the SMILES notation for (Z)-4,4-dimethyl-1-methylsulfanyl-1-prop-2-enylsulfanylpent-1-en-3-ol?
The canonical SMILES for (Z)-4,4-dimethyl-1-methylsulfanyl-1-prop-2-enylsulfanylpent-1-en-3-ol is C=CCS/C(=C\C(O)C(C)(C)C)SC.
What is the InChIKey of (Z)-4,4-dimethyl-1-methylsulfanyl-1-prop-2-enylsulfanylpent-1-en-3-ol?
The InChIKey is NEMNBBMUOWTVJB-NTMALXAHSA-N. The full InChI is InChI=1S/C11H20OS2/c1-6-7-14-10(13-5)8-9(12)11(2,3)4/h6,8-9,12H,1,7H2,2-5H3/b10-8-.
What are the key properties of (Z)-4,4-dimethyl-1-methylsulfanyl-1-prop-2-enylsulfanylpent-1-en-3-ol?
(Z)-4,4-dimethyl-1-methylsulfanyl-1-prop-2-enylsulfanylpent-1-en-3-ol has a molecular weight of 232.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4-dimethyl-1-methylsulfanyl-1-prop-2-enylsulfanylpent-1-en-3-ol is sourced from PubChem (CID 10944329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).