[(Z,5Z)-3-ethyl-5-(4-hydroxy-2-methylidenecyclohexylidene)pent-3-en-2-yl]-dimethylsulfanium

C16H27OS+ — CID 143336825

IUPAC[(Z,5Z)-3-ethyl-5-(4-hydroxy-2-methylidenecyclohexylidene)pent-3-en-2-yl]-dimethylsulfanium
SMILESC=C1CC(O)CC/C1=C/C=C(/CC)C(C)[S+](C)C
InChIInChI=1S/C16H27OS/c1-6-14(13(3)18(4)5)7-8-15-9-10-16(17)11-12(15)2/h7-8,13,16-17H,2,6,9-11H2,1,3-5H3/q+1/b14-7-,15-8-
InChIKeyGEDONHYGWCZRRW-UOUVAZQYSA-N
MW267.46 g/mol
LogP3.62
Rot. Bonds4

About [(Z,5Z)-3-ethyl-5-(4-hydroxy-2-methylidenecyclohexylidene)pent-3-en-2-yl]-dimethylsulfanium

[(Z,5Z)-3-ethyl-5-(4-hydroxy-2-methylidenecyclohexylidene)pent-3-en-2-yl]-dimethylsulfanium (PubChem CID 143336825) has the molecular formula C16H27OS+ and a molecular weight of 267.46 g/mol. Its IUPAC name is [(Z,5Z)-3-ethyl-5-(4-hydroxy-2-methylidenecyclohexylidene)pent-3-en-2-yl]-dimethylsulfanium.

Molecular Properties

Compound Name[(Z,5Z)-3-ethyl-5-(4-hydroxy-2-methylidenecyclohexylidene)pent-3-en-2-yl]-dimethylsulfanium
PubChem CID143336825
Molecular FormulaC16H27OS+
Molecular Weight267.46 g/mol
Exact Mass267.18
IUPAC Name[(Z,5Z)-3-ethyl-5-(4-hydroxy-2-methylidenecyclohexylidene)pent-3-en-2-yl]-dimethylsulfanium
SMILESC=C1CC(O)CC/C1=C/C=C(/CC)C(C)[S+](C)C
InChIInChI=1S/C16H27OS/c1-6-14(13(3)18(4)5)7-8-15-9-10-16(17)11-12(15)2/h7-8,13,16-17H,2,6,9-11H2,1,3-5H3/q+1/b14-7-,15-8-
InChIKeyGEDONHYGWCZRRW-UOUVAZQYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[5-(4-Methoxycyclohexen-1-yl)-2,3-dihydrothiophen-2-yl]methanol
CID 68199934
1-Cyclohexa-1,3-dien-1-yl-2-(trimethyl-lambda4-sulfanyl)ethanol
CID 123682573
6-(2,6-Dimethylcyclohepta-1,3,6-trien-1-yl)sulfanylhexan-1-ol;ethane
CID 143618987
ethane;3-ethenyl-2-methylsulfanyl-4-[(Z)-prop-1-enyl]cyclohept-3-en-1-ol
CID 144189494
Ethane;methanol;4-[2-[tri(propan-2-yl)-lambda4-sulfanyl]ethyl]cyclohexa-1,3-dien-1-ol
CID 145552606
4-(1-Methylsulfanylethyl)cyclohex-3-en-1-ol
CID 153010643
ethane;6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol
CID 156881993
(Z,5Z)-5-ethylidene-8-methylsulfanylnon-6-en-1-ol
CID 143506435
3-ethenyl-2-methylsulfanyl-4-[(Z)-prop-1-enyl]cyclohept-3-en-1-ol
CID 144189495
6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol
CID 156881994
(1E,5Z)-4-methylidene-1-pentylsulfanylundeca-1,5-dien-3-ol
CID 177401290

Frequently Asked Questions

What is the IUPAC name of [(Z,5Z)-3-ethyl-5-(4-hydroxy-2-methylidenecyclohexylidene)pent-3-en-2-yl]-dimethylsulfanium?
The IUPAC name of [(Z,5Z)-3-ethyl-5-(4-hydroxy-2-methylidenecyclohexylidene)pent-3-en-2-yl]-dimethylsulfanium (CID 143336825) is [(Z,5Z)-3-ethyl-5-(4-hydroxy-2-methylidenecyclohexylidene)pent-3-en-2-yl]-dimethylsulfanium.
What is the SMILES notation for [(Z,5Z)-3-ethyl-5-(4-hydroxy-2-methylidenecyclohexylidene)pent-3-en-2-yl]-dimethylsulfanium?
The canonical SMILES for [(Z,5Z)-3-ethyl-5-(4-hydroxy-2-methylidenecyclohexylidene)pent-3-en-2-yl]-dimethylsulfanium is C=C1CC(O)CC/C1=C/C=C(/CC)C(C)[S+](C)C.
What is the InChIKey of [(Z,5Z)-3-ethyl-5-(4-hydroxy-2-methylidenecyclohexylidene)pent-3-en-2-yl]-dimethylsulfanium?
The InChIKey is GEDONHYGWCZRRW-UOUVAZQYSA-N. The full InChI is InChI=1S/C16H27OS/c1-6-14(13(3)18(4)5)7-8-15-9-10-16(17)11-12(15)2/h7-8,13,16-17H,2,6,9-11H2,1,3-5H3/q+1/b14-7-,15-8-.
What are the key properties of [(Z,5Z)-3-ethyl-5-(4-hydroxy-2-methylidenecyclohexylidene)pent-3-en-2-yl]-dimethylsulfanium?
[(Z,5Z)-3-ethyl-5-(4-hydroxy-2-methylidenecyclohexylidene)pent-3-en-2-yl]-dimethylsulfanium has a molecular weight of 267.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,5Z)-3-ethyl-5-(4-hydroxy-2-methylidenecyclohexylidene)pent-3-en-2-yl]-dimethylsulfanium is sourced from PubChem (CID 143336825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).