1-[[3,4-di(propan-2-yl)-2-propan-2-yloxyphenyl]methoxymethyl]-3,4-di(propan-2-yl)-2-propan-2-yloxybenzene

C32H50O3 — CID 174371196

IUPAC1-[[3,4-di(propan-2-yl)-2-propan-2-yloxyphenyl]methoxymethyl]-3,4-di(propan-2-yl)-2-propan-2-yloxybenzene
SMILESCC(C)Oc1c(COCc2ccc(C(C)C)c(C(C)C)c2OC(C)C)ccc(C(C)C)c1C(C)C
InChIInChI=1S/C32H50O3/c1-19(2)27-15-13-25(31(34-23(9)10)29(27)21(5)6)17-33-18-26-14-16-28(20(3)4)30(22(7)8)32(26)35-24(11)12/h13-16,19-24H,17-18H2,1-12H3
InChIKeyCGIUXAMFIDGSSZ-UHFFFAOYSA-N
MW482.75 g/mol
LogP9.47
Rot. Bonds12

About 1-[[3,4-di(propan-2-yl)-2-propan-2-yloxyphenyl]methoxymethyl]-3,4-di(propan-2-yl)-2-propan-2-yloxybenzene

1-[[3,4-di(propan-2-yl)-2-propan-2-yloxyphenyl]methoxymethyl]-3,4-di(propan-2-yl)-2-propan-2-yloxybenzene (PubChem CID 174371196) has the molecular formula C32H50O3 and a molecular weight of 482.75 g/mol. Its IUPAC name is 1-[[3,4-di(propan-2-yl)-2-propan-2-yloxyphenyl]methoxymethyl]-3,4-di(propan-2-yl)-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-[[3,4-di(propan-2-yl)-2-propan-2-yloxyphenyl]methoxymethyl]-3,4-di(propan-2-yl)-2-propan-2-yloxybenzene
PubChem CID174371196
Molecular FormulaC32H50O3
Molecular Weight482.75 g/mol
Exact Mass482.38
IUPAC Name1-[[3,4-di(propan-2-yl)-2-propan-2-yloxyphenyl]methoxymethyl]-3,4-di(propan-2-yl)-2-propan-2-yloxybenzene
SMILESCC(C)Oc1c(COCc2ccc(C(C)C)c(C(C)C)c2OC(C)C)ccc(C(C)C)c1C(C)C
InChIInChI=1S/C32H50O3/c1-19(2)27-15-13-25(31(34-23(9)10)29(27)21(5)6)17-33-18-26-14-16-28(20(3)4)30(22(7)8)32(26)35-24(11)12/h13-16,19-24H,17-18H2,1-12H3
InChIKeyCGIUXAMFIDGSSZ-UHFFFAOYSA-N
XLogP9.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.75
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[3,4-di(propan-2-yl)-2-propan-2-yloxyphenyl]methoxymethyl]-3,4-di(propan-2-yl)-2-propan-2-yloxybenzene with MolForge

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Related Compounds

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CID 70608971
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CID 159108769
1,3-di(propan-2-yl)-2-propan-2-yloxybenzene;ethoxyethane
CID 67998176
1-(2-methylpropyl)-2,3,4-tri(propan-2-yl)benzene
CID 140816630
1-(hydroperoxymethyl)-2,3-dimethyl-4-propan-2-ylbenzene
CID 88802357
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)ethanol
CID 117318734
1-hydroperoxy-2,3-di(propan-2-yl)benzene;1-(hydroperoxymethyl)-2,3-dimethyl-4-propan-2-ylbenzene
CID 88802356
azane;1,2-di(propan-2-yl)naphthalene
CID 172719874
1,2-dimethyl-5,6-di(propan-2-yl)naphthalene
CID 142283660
1,2-di(propan-2-yl)naphthalene;hydrogen peroxide
CID 19002409
1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene
CID 145053588
1-methyl-2,3,4-tri(propan-2-yl)benzene
CID 22369929

Frequently Asked Questions

What is the IUPAC name of 1-[[3,4-di(propan-2-yl)-2-propan-2-yloxyphenyl]methoxymethyl]-3,4-di(propan-2-yl)-2-propan-2-yloxybenzene?
The IUPAC name of 1-[[3,4-di(propan-2-yl)-2-propan-2-yloxyphenyl]methoxymethyl]-3,4-di(propan-2-yl)-2-propan-2-yloxybenzene (CID 174371196) is 1-[[3,4-di(propan-2-yl)-2-propan-2-yloxyphenyl]methoxymethyl]-3,4-di(propan-2-yl)-2-propan-2-yloxybenzene.
What is the SMILES notation for 1-[[3,4-di(propan-2-yl)-2-propan-2-yloxyphenyl]methoxymethyl]-3,4-di(propan-2-yl)-2-propan-2-yloxybenzene?
The canonical SMILES for 1-[[3,4-di(propan-2-yl)-2-propan-2-yloxyphenyl]methoxymethyl]-3,4-di(propan-2-yl)-2-propan-2-yloxybenzene is CC(C)Oc1c(COCc2ccc(C(C)C)c(C(C)C)c2OC(C)C)ccc(C(C)C)c1C(C)C.
What is the InChIKey of 1-[[3,4-di(propan-2-yl)-2-propan-2-yloxyphenyl]methoxymethyl]-3,4-di(propan-2-yl)-2-propan-2-yloxybenzene?
The InChIKey is CGIUXAMFIDGSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50O3/c1-19(2)27-15-13-25(31(34-23(9)10)29(27)21(5)6)17-33-18-26-14-16-28(20(3)4)30(22(7)8)32(26)35-24(11)12/h13-16,19-24H,17-18H2,1-12H3.
What are the key properties of 1-[[3,4-di(propan-2-yl)-2-propan-2-yloxyphenyl]methoxymethyl]-3,4-di(propan-2-yl)-2-propan-2-yloxybenzene?
1-[[3,4-di(propan-2-yl)-2-propan-2-yloxyphenyl]methoxymethyl]-3,4-di(propan-2-yl)-2-propan-2-yloxybenzene has a molecular weight of 482.75 g/mol, XLogP of 9.47, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,4-di(propan-2-yl)-2-propan-2-yloxyphenyl]methoxymethyl]-3,4-di(propan-2-yl)-2-propan-2-yloxybenzene is sourced from PubChem (CID 174371196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).