2-(7-ethoxy-3,7-dimethyloctoxy)-1,3-di(propan-2-yl)benzene

C24H42O2 — CID 22749811

IUPAC2-(7-ethoxy-3,7-dimethyloctoxy)-1,3-di(propan-2-yl)benzene
SMILESCCOC(C)(C)CCCC(C)CCOc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C24H42O2/c1-9-26-24(7,8)16-11-12-20(6)15-17-25-23-21(18(2)3)13-10-14-22(23)19(4)5/h10,13-14,18-20H,9,11-12,15-17H2,1-8H3
InChIKeyDCKPLMIPEVNMPF-UHFFFAOYSA-N
MW362.60 g/mol
LogP7.32
Rot. Bonds12

About 2-(7-ethoxy-3,7-dimethyloctoxy)-1,3-di(propan-2-yl)benzene

2-(7-ethoxy-3,7-dimethyloctoxy)-1,3-di(propan-2-yl)benzene (PubChem CID 22749811) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 2-(7-ethoxy-3,7-dimethyloctoxy)-1,3-di(propan-2-yl)benzene.

Molecular Properties

Compound Name2-(7-ethoxy-3,7-dimethyloctoxy)-1,3-di(propan-2-yl)benzene
PubChem CID22749811
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name2-(7-ethoxy-3,7-dimethyloctoxy)-1,3-di(propan-2-yl)benzene
SMILESCCOC(C)(C)CCCC(C)CCOc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C24H42O2/c1-9-26-24(7,8)16-11-12-20(6)15-17-25-23-21(18(2)3)13-10-14-22(23)19(4)5/h10,13-14,18-20H,9,11-12,15-17H2,1-8H3
InChIKeyDCKPLMIPEVNMPF-UHFFFAOYSA-N
XLogP7.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-ethoxy-3,7-dimethyloctoxy)-1-ethyl-3-methylbenzene
CID 22749796
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
1,3-di(propan-2-yl)-2-propoxybenzene
CID 59277560
1-(7-ethoxy-3,7-dimethyloctoxy)-2-methoxy-4-nitrobenzene
CID 22749794
8-methoxy-4,8-dimethyl-1-(2-propan-2-ylphenyl)nonan-1-ol
CID 70502120
1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol
CID 19774059
4-[2,6-di(propan-2-yl)phenoxy]butyl-diethylazanium
CID 2250093
1-ethyl-4-(7-methoxy-3,7-dimethyloctoxy)benzene
CID 22749891
1-ethoxy-5-propan-2-ylnaphthalene
CID 176668059
12-ethoxy-2,12-dimethyltridecan-1-amine
CID 150200796
3-[2,6-di(propan-2-yl)phenoxy]-2,2-dimethylpropanehydrazide
CID 79629145
7-ethoxy-2,3,7-trimethyloctanal
CID 59560846

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethoxy-3,7-dimethyloctoxy)-1,3-di(propan-2-yl)benzene?
The IUPAC name of 2-(7-ethoxy-3,7-dimethyloctoxy)-1,3-di(propan-2-yl)benzene (CID 22749811) is 2-(7-ethoxy-3,7-dimethyloctoxy)-1,3-di(propan-2-yl)benzene.
What is the SMILES notation for 2-(7-ethoxy-3,7-dimethyloctoxy)-1,3-di(propan-2-yl)benzene?
The canonical SMILES for 2-(7-ethoxy-3,7-dimethyloctoxy)-1,3-di(propan-2-yl)benzene is CCOC(C)(C)CCCC(C)CCOc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2-(7-ethoxy-3,7-dimethyloctoxy)-1,3-di(propan-2-yl)benzene?
The InChIKey is DCKPLMIPEVNMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2/c1-9-26-24(7,8)16-11-12-20(6)15-17-25-23-21(18(2)3)13-10-14-22(23)19(4)5/h10,13-14,18-20H,9,11-12,15-17H2,1-8H3.
What are the key properties of 2-(7-ethoxy-3,7-dimethyloctoxy)-1,3-di(propan-2-yl)benzene?
2-(7-ethoxy-3,7-dimethyloctoxy)-1,3-di(propan-2-yl)benzene has a molecular weight of 362.60 g/mol, XLogP of 7.32, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethoxy-3,7-dimethyloctoxy)-1,3-di(propan-2-yl)benzene is sourced from PubChem (CID 22749811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).