1-[2,3-di(propan-2-yloxy)propoxymethoxy]-2,3-di(propan-2-yloxy)propane;methane;4-methyl-1,2-bis(propan-2-ylsulfanyl)pentane

C33H74O6S2 — CID 157282415

IUPAC1-[2,3-di(propan-2-yloxy)propoxymethoxy]-2,3-di(propan-2-yloxy)propane;methane;4-methyl-1,2-bis(propan-2-ylsulfanyl)pentane
SMILESC.C.CC(C)CC(CSC(C)C)SC(C)C.CC(C)OCC(COCOCC(COC(C)C)OC(C)C)OC(C)C
InChIInChI=1S/C19H40O6.C12H26S2.2CH4/c1-14(2)22-11-18(24-16(5)6)9-20-13-21-10-19(25-17(7)8)12-23-15(3)4;1-9(2)7-12(14-11(5)6)8-13-10(3)4;;/h14-19H,9-13H2,1-8H3;9-12H,7-8H2,1-6H3;2*1H4
InChIKeyAZUZEZWKDGNNKS-UHFFFAOYSA-N
MW631.08 g/mol
LogP9.37
Rot. Bonds23

About 1-[2,3-di(propan-2-yloxy)propoxymethoxy]-2,3-di(propan-2-yloxy)propane;methane;4-methyl-1,2-bis(propan-2-ylsulfanyl)pentane

1-[2,3-di(propan-2-yloxy)propoxymethoxy]-2,3-di(propan-2-yloxy)propane;methane;4-methyl-1,2-bis(propan-2-ylsulfanyl)pentane (PubChem CID 157282415) has the molecular formula C33H74O6S2 and a molecular weight of 631.08 g/mol. Its IUPAC name is 1-[2,3-di(propan-2-yloxy)propoxymethoxy]-2,3-di(propan-2-yloxy)propane;methane;4-methyl-1,2-bis(propan-2-ylsulfanyl)pentane.

Molecular Properties

Compound Name1-[2,3-di(propan-2-yloxy)propoxymethoxy]-2,3-di(propan-2-yloxy)propane;methane;4-methyl-1,2-bis(propan-2-ylsulfanyl)pentane
PubChem CID157282415
Molecular FormulaC33H74O6S2
Molecular Weight631.08 g/mol
Exact Mass630.49
IUPAC Name1-[2,3-di(propan-2-yloxy)propoxymethoxy]-2,3-di(propan-2-yloxy)propane;methane;4-methyl-1,2-bis(propan-2-ylsulfanyl)pentane
SMILESC.C.CC(C)CC(CSC(C)C)SC(C)C.CC(C)OCC(COCOCC(COC(C)C)OC(C)C)OC(C)C
InChIInChI=1S/C19H40O6.C12H26S2.2CH4/c1-14(2)22-11-18(24-16(5)6)9-20-13-21-10-19(25-17(7)8)12-23-15(3)4;1-9(2)7-12(14-11(5)6)8-13-10(3)4;;/h14-19H,9-13H2,1-8H3;9-12H,7-8H2,1-6H3;2*1H4
InChIKeyAZUZEZWKDGNNKS-UHFFFAOYSA-N
XLogP9.37
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.08
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-Ethylsulfanyl-2-[(1-ethylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane
CID 57018873
1-Ethylsulfanyl-3-[(3-ethylsulfanyl-2-propan-2-yloxypropoxy)methoxy]-2-propan-2-yloxypropane
CID 57264764
[4-[Dimethyl-[3-(oxiran-2-ylmethoxy)propyl]-lambda4-sulfanyl]-2,4-dimethylpentan-2-yl]-[3-(ethoxymethoxy)propyl]-dimethyl-lambda4-sulfane
CID 146602768
2-Methylbutane;2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-(2-methylpropoxy)propoxy]propane;2-methylpentane;1-propoxypropane;1-propylsulfanylpropane
CID 159693958

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-di(propan-2-yloxy)propoxymethoxy]-2,3-di(propan-2-yloxy)propane;methane;4-methyl-1,2-bis(propan-2-ylsulfanyl)pentane?
The IUPAC name of 1-[2,3-di(propan-2-yloxy)propoxymethoxy]-2,3-di(propan-2-yloxy)propane;methane;4-methyl-1,2-bis(propan-2-ylsulfanyl)pentane (CID 157282415) is 1-[2,3-di(propan-2-yloxy)propoxymethoxy]-2,3-di(propan-2-yloxy)propane;methane;4-methyl-1,2-bis(propan-2-ylsulfanyl)pentane.
What is the SMILES notation for 1-[2,3-di(propan-2-yloxy)propoxymethoxy]-2,3-di(propan-2-yloxy)propane;methane;4-methyl-1,2-bis(propan-2-ylsulfanyl)pentane?
The canonical SMILES for 1-[2,3-di(propan-2-yloxy)propoxymethoxy]-2,3-di(propan-2-yloxy)propane;methane;4-methyl-1,2-bis(propan-2-ylsulfanyl)pentane is C.C.CC(C)CC(CSC(C)C)SC(C)C.CC(C)OCC(COCOCC(COC(C)C)OC(C)C)OC(C)C.
What is the InChIKey of 1-[2,3-di(propan-2-yloxy)propoxymethoxy]-2,3-di(propan-2-yloxy)propane;methane;4-methyl-1,2-bis(propan-2-ylsulfanyl)pentane?
The InChIKey is AZUZEZWKDGNNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O6.C12H26S2.2CH4/c1-14(2)22-11-18(24-16(5)6)9-20-13-21-10-19(25-17(7)8)12-23-15(3)4;1-9(2)7-12(14-11(5)6)8-13-10(3)4;;/h14-19H,9-13H2,1-8H3;9-12H,7-8H2,1-6H3;2*1H4.
What are the key properties of 1-[2,3-di(propan-2-yloxy)propoxymethoxy]-2,3-di(propan-2-yloxy)propane;methane;4-methyl-1,2-bis(propan-2-ylsulfanyl)pentane?
1-[2,3-di(propan-2-yloxy)propoxymethoxy]-2,3-di(propan-2-yloxy)propane;methane;4-methyl-1,2-bis(propan-2-ylsulfanyl)pentane has a molecular weight of 631.08 g/mol, XLogP of 9.37, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-di(propan-2-yloxy)propoxymethoxy]-2,3-di(propan-2-yloxy)propane;methane;4-methyl-1,2-bis(propan-2-ylsulfanyl)pentane is sourced from PubChem (CID 157282415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).