(3S)-2,5-dimethyl-3-[[3-methyl-2-[[(2R)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]hexane

C24H50O2 — CID 87692911

IUPAC(3S)-2,5-dimethyl-3-[[3-methyl-2-[[(2R)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]hexane
SMILESCC(C)C[C@@H](COCC(COC[C@@H](CC(C)C)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C24H50O2/c1-17(2)11-22(19(5)6)13-25-15-24(21(9)10)16-26-14-23(20(7)8)12-18(3)4/h17-24H,11-16H2,1-10H3/t22-,23+,24?
InChIKeyAQTAPYOLPMILIC-VSGJHWFKSA-N
MW370.66 g/mol
LogP6.93
Rot. Bonds15

About (3S)-2,5-dimethyl-3-[[3-methyl-2-[[(2R)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]hexane

(3S)-2,5-dimethyl-3-[[3-methyl-2-[[(2R)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]hexane (PubChem CID 87692911) has the molecular formula C24H50O2 and a molecular weight of 370.66 g/mol. Its IUPAC name is (3S)-2,5-dimethyl-3-[[3-methyl-2-[[(2R)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]hexane.

Molecular Properties

Compound Name(3S)-2,5-dimethyl-3-[[3-methyl-2-[[(2R)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]hexane
PubChem CID87692911
Molecular FormulaC24H50O2
Molecular Weight370.66 g/mol
Exact Mass370.38
IUPAC Name(3S)-2,5-dimethyl-3-[[3-methyl-2-[[(2R)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]hexane
SMILESCC(C)C[C@@H](COCC(COC[C@@H](CC(C)C)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C24H50O2/c1-17(2)11-22(19(5)6)13-25-15-24(21(9)10)16-26-14-23(20(7)8)12-18(3)4/h17-24H,11-16H2,1-10H3/t22-,23+,24?
InChIKeyAQTAPYOLPMILIC-VSGJHWFKSA-N
XLogP6.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.66
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-2,5-dimethyl-3-[[3-methyl-2-[[(2R)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]hexane with MolForge

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Related Compounds

(3R)-2,5-dimethyl-3-[[4-methyl-2-[1-[(2R)-3-methyl-2-[[3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]butoxy]-3-[3-[(2R)-3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]-2-[(2R)-4-methyl-2-propan-2-ylpentoxy]propoxy]propan-2-yl]oxypentoxy]methyl]hexane
CID 118012539
(3S)-3-(methoxymethyl)-2,5-dimethylhexane
CID 121338192
1-fluoro-3-methyl-2-(2-methylpropoxymethyl)butane
CID 146509043
3-methyl-1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane
CID 58115661
3-methyl-1-prop-2-ynoxy-2-(prop-2-ynoxymethyl)butane
CID 140958843
2-methyl-4-propan-2-ylheptane
CID 21201044
7-methyl-5-propan-2-yloctan-1-ol
CID 143448333
methane;2-methyl-1-(2-methylpropoxy)propane
CID 162245040
3-methyl-2-[2-(2-methylpropoxy)ethoxymethyl]butane-1-thiol
CID 106451137
2,6-dimethylheptan-4-ol;methane;2-methyl-1-(2-methylpropoxy)propane
CID 158712892
CID 88668128
CID 88668128
2,13-dimethyl-4-propan-2-yltetradecane
CID 140816601

Frequently Asked Questions

What is the IUPAC name of (3S)-2,5-dimethyl-3-[[3-methyl-2-[[(2R)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]hexane?
The IUPAC name of (3S)-2,5-dimethyl-3-[[3-methyl-2-[[(2R)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]hexane (CID 87692911) is (3S)-2,5-dimethyl-3-[[3-methyl-2-[[(2R)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]hexane.
What is the SMILES notation for (3S)-2,5-dimethyl-3-[[3-methyl-2-[[(2R)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]hexane?
The canonical SMILES for (3S)-2,5-dimethyl-3-[[3-methyl-2-[[(2R)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]hexane is CC(C)C[C@@H](COCC(COC[C@@H](CC(C)C)C(C)C)C(C)C)C(C)C.
What is the InChIKey of (3S)-2,5-dimethyl-3-[[3-methyl-2-[[(2R)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]hexane?
The InChIKey is AQTAPYOLPMILIC-VSGJHWFKSA-N. The full InChI is InChI=1S/C24H50O2/c1-17(2)11-22(19(5)6)13-25-15-24(21(9)10)16-26-14-23(20(7)8)12-18(3)4/h17-24H,11-16H2,1-10H3/t22-,23+,24?.
What are the key properties of (3S)-2,5-dimethyl-3-[[3-methyl-2-[[(2R)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]hexane?
(3S)-2,5-dimethyl-3-[[3-methyl-2-[[(2R)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]hexane has a molecular weight of 370.66 g/mol, XLogP of 6.93, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,5-dimethyl-3-[[3-methyl-2-[[(2R)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]hexane is sourced from PubChem (CID 87692911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).