bis(1-butyl-3-ethylbenzene);1-butyl-3-propoxybenzene;bis(1-butyl-3-propylbenzene);1,3-dibutylbenzene;1,3-dipropylbenzene;bis(1-ethyl-3-propoxybenzene);bis(1-propoxy-3-propylbenzene)

C135H204O5 — CID 161427356

IUPACbis(1-butyl-3-ethylbenzene);1-butyl-3-propoxybenzene;bis(1-butyl-3-propylbenzene);1,3-dibutylbenzene;1,3-dipropylbenzene;bis(1-ethyl-3-propoxybenzene);bis(1-propoxy-3-propylbenzene)
SMILESCCCCc1cccc(CC)c1.CCCCc1cccc(CC)c1.CCCCc1cccc(CCC)c1.CCCCc1cccc(CCC)c1.CCCCc1cccc(CCCC)c1.CCCCc1cccc(OCCC)c1.CCCOc1cccc(CC)c1.CCCOc1cccc(CC)c1.CCCOc1cccc(CCC)c1.CCCOc1cccc(CCC)c1.CCCc1cccc(CCC)c1
InChIInChI=1S/C14H22.C13H20O.2C13H20.2C12H18O.3C12H18.2C11H16O/c1-3-5-8-13-10-7-11-14(12-13)9-6-4-2;1-3-5-7-12-8-6-9-13(11-12)14-10-4-2;2*1-3-5-8-13-10-6-9-12(11-13)7-4-2;2*1-3-6-11-7-5-8-12(10-11)13-9-4-2;1-3-6-11-8-5-9-12(10-11)7-4-2;2*1-3-5-7-12-9-6-8-11(4-2)10-12;2*1-3-8-12-11-7-5-6-10(4-2)9-11/h7,10-12H,3-6,8-9H2,1-2H3;6,8-9,11H,3-5,7,10H2,1-2H3;2*6,9-11H,3-5,7-8H2,1-2H3;2*5,7-8,10H,3-4,6,9H2,1-2H3;5,8-10H,3-4,6-7H2,1-2H3;2*6,8-10H,3-5,7H2,1-2H3;2*5-7,9H,3-4,8H2,1-2H3
InChIKeyVXNRHJSUDQZGMK-UHFFFAOYSA-N
MW1907.11 g/mol
LogP39.86
Rot. Bonds52

About bis(1-butyl-3-ethylbenzene);1-butyl-3-propoxybenzene;bis(1-butyl-3-propylbenzene);1,3-dibutylbenzene;1,3-dipropylbenzene;bis(1-ethyl-3-propoxybenzene);bis(1-propoxy-3-propylbenzene)

bis(1-butyl-3-ethylbenzene);1-butyl-3-propoxybenzene;bis(1-butyl-3-propylbenzene);1,3-dibutylbenzene;1,3-dipropylbenzene;bis(1-ethyl-3-propoxybenzene);bis(1-propoxy-3-propylbenzene) (PubChem CID 161427356) has the molecular formula C135H204O5 and a molecular weight of 1907.11 g/mol. Its IUPAC name is bis(1-butyl-3-ethylbenzene);1-butyl-3-propoxybenzene;bis(1-butyl-3-propylbenzene);1,3-dibutylbenzene;1,3-dipropylbenzene;bis(1-ethyl-3-propoxybenzene);bis(1-propoxy-3-propylbenzene).

Molecular Properties

Compound Namebis(1-butyl-3-ethylbenzene);1-butyl-3-propoxybenzene;bis(1-butyl-3-propylbenzene);1,3-dibutylbenzene;1,3-dipropylbenzene;bis(1-ethyl-3-propoxybenzene);bis(1-propoxy-3-propylbenzene)
PubChem CID161427356
Molecular FormulaC135H204O5
Molecular Weight1907.11 g/mol
Exact Mass1905.57
IUPAC Namebis(1-butyl-3-ethylbenzene);1-butyl-3-propoxybenzene;bis(1-butyl-3-propylbenzene);1,3-dibutylbenzene;1,3-dipropylbenzene;bis(1-ethyl-3-propoxybenzene);bis(1-propoxy-3-propylbenzene)
SMILESCCCCc1cccc(CC)c1.CCCCc1cccc(CC)c1.CCCCc1cccc(CCC)c1.CCCCc1cccc(CCC)c1.CCCCc1cccc(CCCC)c1.CCCCc1cccc(OCCC)c1.CCCOc1cccc(CC)c1.CCCOc1cccc(CC)c1.CCCOc1cccc(CCC)c1.CCCOc1cccc(CCC)c1.CCCc1cccc(CCC)c1
InChIInChI=1S/C14H22.C13H20O.2C13H20.2C12H18O.3C12H18.2C11H16O/c1-3-5-8-13-10-7-11-14(12-13)9-6-4-2;1-3-5-7-12-8-6-9-13(11-12)14-10-4-2;2*1-3-5-8-13-10-6-9-12(11-13)7-4-2;2*1-3-6-11-7-5-8-12(10-11)13-9-4-2;1-3-6-11-8-5-9-12(10-11)7-4-2;2*1-3-5-7-12-9-6-8-11(4-2)10-12;2*1-3-8-12-11-7-5-6-10(4-2)9-11/h7,10-12H,3-6,8-9H2,1-2H3;6,8-9,11H,3-5,7,10H2,1-2H3;2*6,9-11H,3-5,7-8H2,1-2H3;2*5,7-8,10H,3-4,6,9H2,1-2H3;5,8-10H,3-4,6-7H2,1-2H3;2*6,8-10H,3-5,7H2,1-2H3;2*5-7,9H,3-4,8H2,1-2H3
InChIKeyVXNRHJSUDQZGMK-UHFFFAOYSA-N
XLogP39.86
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds52
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001907.11
LogP ≤ 539.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze bis(1-butyl-3-ethylbenzene);1-butyl-3-propoxybenzene;bis(1-butyl-3-propylbenzene);1,3-dibutylbenzene;1,3-dipropylbenzene;bis(1-ethyl-3-propoxybenzene);bis(1-propoxy-3-propylbenzene) with MolForge

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Related Compounds

1-butyl-3-(3-propoxypropoxy)benzene
CID 54569777
1-butyl-3-propoxybenzene;1,3-dipropoxybenzene;1-ethyl-2-(2-ethylphenyl)sulfanylbenzene
CID 161063156
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118
5-(3-propylphenoxy)pentan-1-ol
CID 174619714
1-butyl-3-(4-phenylmethoxybutoxy)benzene
CID 69097411
butyl-[2-(3-ethylphenoxy)ethyl]azanium
CID 2296697
7-(3-propoxyphenyl)heptan-3-one
CID 157062342
2-[3-[2-(3-propoxyphenyl)ethyl]phenyl]acetonitrile
CID 141318106
(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359
ethane;6-(3-propoxyphenyl)hexan-2-one
CID 157048681
1-(4-bromobutoxy)-3-ethylbenzene
CID 43165198
1-(3-ethoxypropoxy)-3-ethylbenzene
CID 65178127

Frequently Asked Questions

What is the IUPAC name of bis(1-butyl-3-ethylbenzene);1-butyl-3-propoxybenzene;bis(1-butyl-3-propylbenzene);1,3-dibutylbenzene;1,3-dipropylbenzene;bis(1-ethyl-3-propoxybenzene);bis(1-propoxy-3-propylbenzene)?
The IUPAC name of bis(1-butyl-3-ethylbenzene);1-butyl-3-propoxybenzene;bis(1-butyl-3-propylbenzene);1,3-dibutylbenzene;1,3-dipropylbenzene;bis(1-ethyl-3-propoxybenzene);bis(1-propoxy-3-propylbenzene) (CID 161427356) is bis(1-butyl-3-ethylbenzene);1-butyl-3-propoxybenzene;bis(1-butyl-3-propylbenzene);1,3-dibutylbenzene;1,3-dipropylbenzene;bis(1-ethyl-3-propoxybenzene);bis(1-propoxy-3-propylbenzene).
What is the SMILES notation for bis(1-butyl-3-ethylbenzene);1-butyl-3-propoxybenzene;bis(1-butyl-3-propylbenzene);1,3-dibutylbenzene;1,3-dipropylbenzene;bis(1-ethyl-3-propoxybenzene);bis(1-propoxy-3-propylbenzene)?
The canonical SMILES for bis(1-butyl-3-ethylbenzene);1-butyl-3-propoxybenzene;bis(1-butyl-3-propylbenzene);1,3-dibutylbenzene;1,3-dipropylbenzene;bis(1-ethyl-3-propoxybenzene);bis(1-propoxy-3-propylbenzene) is CCCCc1cccc(CC)c1.CCCCc1cccc(CC)c1.CCCCc1cccc(CCC)c1.CCCCc1cccc(CCC)c1.CCCCc1cccc(CCCC)c1.CCCCc1cccc(OCCC)c1.CCCOc1cccc(CC)c1.CCCOc1cccc(CC)c1.CCCOc1cccc(CCC)c1.CCCOc1cccc(CCC)c1.CCCc1cccc(CCC)c1.
What is the InChIKey of bis(1-butyl-3-ethylbenzene);1-butyl-3-propoxybenzene;bis(1-butyl-3-propylbenzene);1,3-dibutylbenzene;1,3-dipropylbenzene;bis(1-ethyl-3-propoxybenzene);bis(1-propoxy-3-propylbenzene)?
The InChIKey is VXNRHJSUDQZGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.C13H20O.2C13H20.2C12H18O.3C12H18.2C11H16O/c1-3-5-8-13-10-7-11-14(12-13)9-6-4-2;1-3-5-7-12-8-6-9-13(11-12)14-10-4-2;2*1-3-5-8-13-10-6-9-12(11-13)7-4-2;2*1-3-6-11-7-5-8-12(10-11)13-9-4-2;1-3-6-11-8-5-9-12(10-11)7-4-2;2*1-3-5-7-12-9-6-8-11(4-2)10-12;2*1-3-8-12-11-7-5-6-10(4-2)9-11/h7,10-12H,3-6,8-9H2,1-2H3;6,8-9,11H,3-5,7,10H2,1-2H3;2*6,9-11H,3-5,7-8H2,1-2H3;2*5,7-8,10H,3-4,6,9H2,1-2H3;5,8-10H,3-4,6-7H2,1-2H3;2*6,8-10H,3-5,7H2,1-2H3;2*5-7,9H,3-4,8H2,1-2H3.
What are the key properties of bis(1-butyl-3-ethylbenzene);1-butyl-3-propoxybenzene;bis(1-butyl-3-propylbenzene);1,3-dibutylbenzene;1,3-dipropylbenzene;bis(1-ethyl-3-propoxybenzene);bis(1-propoxy-3-propylbenzene)?
bis(1-butyl-3-ethylbenzene);1-butyl-3-propoxybenzene;bis(1-butyl-3-propylbenzene);1,3-dibutylbenzene;1,3-dipropylbenzene;bis(1-ethyl-3-propoxybenzene);bis(1-propoxy-3-propylbenzene) has a molecular weight of 1907.11 g/mol, XLogP of 39.86, 52 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-butyl-3-ethylbenzene);1-butyl-3-propoxybenzene;bis(1-butyl-3-propylbenzene);1,3-dibutylbenzene;1,3-dipropylbenzene;bis(1-ethyl-3-propoxybenzene);bis(1-propoxy-3-propylbenzene) is sourced from PubChem (CID 161427356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).