2-butoxyethanol;2-ethylhexan-1-ol;2-(2-hydroxyethylsulfanyl)ethanol

C18H42O5S — CID 170852817

IUPAC2-butoxyethanol;2-ethylhexan-1-ol;2-(2-hydroxyethylsulfanyl)ethanol
SMILESCCCCC(CC)CO.CCCCOCCO.OCCSCCO
InChIInChI=1S/C8H18O.C6H14O2.C4H10O2S/c1-3-5-6-8(4-2)7-9;1-2-3-5-8-6-4-7;5-1-3-7-4-2-6/h8-9H,3-7H2,1-2H3;7H,2-6H2,1H3;5-6H,1-4H2
InChIKeyKBCBKMDKNJKVNP-UHFFFAOYSA-N
MW370.60 g/mol
LogP2.69
Rot. Bonds14

About 2-butoxyethanol;2-ethylhexan-1-ol;2-(2-hydroxyethylsulfanyl)ethanol

2-butoxyethanol;2-ethylhexan-1-ol;2-(2-hydroxyethylsulfanyl)ethanol (PubChem CID 170852817) has the molecular formula C18H42O5S and a molecular weight of 370.60 g/mol. Its IUPAC name is 2-butoxyethanol;2-ethylhexan-1-ol;2-(2-hydroxyethylsulfanyl)ethanol.

Molecular Properties

Compound Name2-butoxyethanol;2-ethylhexan-1-ol;2-(2-hydroxyethylsulfanyl)ethanol
PubChem CID170852817
Molecular FormulaC18H42O5S
Molecular Weight370.60 g/mol
Exact Mass370.28
IUPAC Name2-butoxyethanol;2-ethylhexan-1-ol;2-(2-hydroxyethylsulfanyl)ethanol
SMILESCCCCC(CC)CO.CCCCOCCO.OCCSCCO
InChIInChI=1S/C8H18O.C6H14O2.C4H10O2S/c1-3-5-6-8(4-2)7-9;1-2-3-5-8-6-4-7;5-1-3-7-4-2-6/h8-9H,3-7H2,1-2H3;7H,2-6H2,1H3;5-6H,1-4H2
InChIKeyKBCBKMDKNJKVNP-UHFFFAOYSA-N
XLogP2.69
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.60
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Ethylhexoxy)-3-(4-fluorooctan-2-ylsulfanyl)propan-2-ol
CID 23195082
1-(2-Ethylhexoxy)-3-(4-fluorodecan-2-ylsulfanyl)propan-2-ol
CID 87968898
2-Butoxyethanol;2-(2-butoxyethoxy)ethanol;2-[2-(2-butoxyethoxy)ethoxy]ethanol;2-ethylhexan-1-ol;2-(2-hydroxyethylsulfanyl)ethanol
CID 177696303
2-Decoxy-3-(2-methylundecylsulfanyl)propan-1-ol
CID 15839506
2-Ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethyl]sulfanyl-2-hydroxyacetate
CID 18359432
1-(2-Ethylhexoxy)-3-[3-(2-ethylhexoxy)-2-hydroxypropyl]sulfanylpropan-2-ol
CID 22141567
1-(2-Ethyltetradecoxy)-3-[3-(2-ethyltetradecoxy)-2-hydroxypropyl]sulfanylpropan-2-ol
CID 23120484
6-(2-Ethylhexoxy)-4-[1-(2-ethylhexoxy)-2,5,6-trihydroxyhexan-3-yl]sulfanylhexane-1,2,5-triol
CID 23120496
5-(2-Ethylhexoxy)-3-[1-(2-ethylhexoxy)-2,5-dihydroxypentan-3-yl]sulfanylpentane-1,4-diol
CID 23120497
2-Methoxy-3-(3,7,11,15-tetramethylhexadecyloxy)propyl 3-hydroxypropyl sulfide
CID 53807292
3-(2-Butyloctylsulfanyl)-2-decoxypropan-1-ol
CID 57105360
1-(2-Ethoxyethylsulfanyl)-3-(3,7,11,15-tetramethylhexadecoxy)propan-2-ol
CID 57211024

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethanol;2-ethylhexan-1-ol;2-(2-hydroxyethylsulfanyl)ethanol?
The IUPAC name of 2-butoxyethanol;2-ethylhexan-1-ol;2-(2-hydroxyethylsulfanyl)ethanol (CID 170852817) is 2-butoxyethanol;2-ethylhexan-1-ol;2-(2-hydroxyethylsulfanyl)ethanol.
What is the SMILES notation for 2-butoxyethanol;2-ethylhexan-1-ol;2-(2-hydroxyethylsulfanyl)ethanol?
The canonical SMILES for 2-butoxyethanol;2-ethylhexan-1-ol;2-(2-hydroxyethylsulfanyl)ethanol is CCCCC(CC)CO.CCCCOCCO.OCCSCCO.
What is the InChIKey of 2-butoxyethanol;2-ethylhexan-1-ol;2-(2-hydroxyethylsulfanyl)ethanol?
The InChIKey is KBCBKMDKNJKVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C6H14O2.C4H10O2S/c1-3-5-6-8(4-2)7-9;1-2-3-5-8-6-4-7;5-1-3-7-4-2-6/h8-9H,3-7H2,1-2H3;7H,2-6H2,1H3;5-6H,1-4H2.
What are the key properties of 2-butoxyethanol;2-ethylhexan-1-ol;2-(2-hydroxyethylsulfanyl)ethanol?
2-butoxyethanol;2-ethylhexan-1-ol;2-(2-hydroxyethylsulfanyl)ethanol has a molecular weight of 370.60 g/mol, XLogP of 2.69, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethanol;2-ethylhexan-1-ol;2-(2-hydroxyethylsulfanyl)ethanol is sourced from PubChem (CID 170852817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).