4-butan-2-yl-3,5-diethylheptane;3,4-diethyl-5-methylheptane;3,5-diethyl-4-methylheptane;3,4-dimethylhexane;bis(3-ethyl-4-methylhexane);bis(2-methylbutane);tris(3-methylpentane)

C93H208 — CID 165078290

IUPAC4-butan-2-yl-3,5-diethylheptane;3,4-diethyl-5-methylheptane;3,5-diethyl-4-methylheptane;3,4-dimethylhexane;bis(3-ethyl-4-methylhexane);bis(2-methylbutane);tris(3-methylpentane)
SMILESCCC(C)C.CCC(C)C.CCC(C)C(C(CC)CC)C(CC)CC.CCC(C)C(C)CC.CCC(C)C(CC)C(CC)CC.CCC(C)C(CC)CC.CCC(C)C(CC)CC.CCC(C)CC.CCC(C)CC.CCC(C)CC.CCC(CC)C(C)C(CC)CC
InChIInChI=1S/C15H32.2C12H26.2C9H20.C8H18.3C6H14.2C5H12/c1-7-12(6)15(13(8-2)9-3)14(10-4)11-5;1-6-11(7-2)10(5)12(8-3)9-4;1-6-10(5)12(9-4)11(7-2)8-3;2*1-5-8(4)9(6-2)7-3;1-5-7(3)8(4)6-2;3*1-4-6(3)5-2;2*1-4-5(2)3/h12-15H,7-11H2,1-6H3;2*10-12H,6-9H2,1-5H3;2*8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;3*6H,4-5H2,1-3H3;2*5H,4H2,1-3H3
InChIKeyUROMCKUNMRGPSM-UHFFFAOYSA-N
MW1326.69 g/mol
LogP35.96
Rot. Bonds39

About 4-butan-2-yl-3,5-diethylheptane;3,4-diethyl-5-methylheptane;3,5-diethyl-4-methylheptane;3,4-dimethylhexane;bis(3-ethyl-4-methylhexane);bis(2-methylbutane);tris(3-methylpentane)

4-butan-2-yl-3,5-diethylheptane;3,4-diethyl-5-methylheptane;3,5-diethyl-4-methylheptane;3,4-dimethylhexane;bis(3-ethyl-4-methylhexane);bis(2-methylbutane);tris(3-methylpentane) (PubChem CID 165078290) has the molecular formula C93H208 and a molecular weight of 1326.69 g/mol. Its IUPAC name is 4-butan-2-yl-3,5-diethylheptane;3,4-diethyl-5-methylheptane;3,5-diethyl-4-methylheptane;3,4-dimethylhexane;bis(3-ethyl-4-methylhexane);bis(2-methylbutane);tris(3-methylpentane).

Molecular Properties

Compound Name4-butan-2-yl-3,5-diethylheptane;3,4-diethyl-5-methylheptane;3,5-diethyl-4-methylheptane;3,4-dimethylhexane;bis(3-ethyl-4-methylhexane);bis(2-methylbutane);tris(3-methylpentane)
PubChem CID165078290
Molecular FormulaC93H208
Molecular Weight1326.69 g/mol
Exact Mass1325.63
IUPAC Name4-butan-2-yl-3,5-diethylheptane;3,4-diethyl-5-methylheptane;3,5-diethyl-4-methylheptane;3,4-dimethylhexane;bis(3-ethyl-4-methylhexane);bis(2-methylbutane);tris(3-methylpentane)
SMILESCCC(C)C.CCC(C)C.CCC(C)C(C(CC)CC)C(CC)CC.CCC(C)C(C)CC.CCC(C)C(CC)C(CC)CC.CCC(C)C(CC)CC.CCC(C)C(CC)CC.CCC(C)CC.CCC(C)CC.CCC(C)CC.CCC(CC)C(C)C(CC)CC
InChIInChI=1S/C15H32.2C12H26.2C9H20.C8H18.3C6H14.2C5H12/c1-7-12(6)15(13(8-2)9-3)14(10-4)11-5;1-6-11(7-2)10(5)12(8-3)9-4;1-6-10(5)12(9-4)11(7-2)8-3;2*1-5-8(4)9(6-2)7-3;1-5-7(3)8(4)6-2;3*1-4-6(3)5-2;2*1-4-5(2)3/h12-15H,7-11H2,1-6H3;2*10-12H,6-9H2,1-5H3;2*8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;3*6H,4-5H2,1-3H3;2*5H,4H2,1-3H3
InChIKeyUROMCKUNMRGPSM-UHFFFAOYSA-N
XLogP35.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds39
Heavy Atoms93
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001326.69
LogP ≤ 535.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-butan-2-yl-3,5-diethylheptane;3,4-diethyl-5-methylheptane;3,5-diethyl-4-methylheptane;3,4-dimethylhexane;bis(3-ethyl-4-methylhexane);bis(2-methylbutane);tris(3-methylpentane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-3,5-diethylheptane;3,4-diethyl-5-methylheptane;3,5-diethyl-4-methylheptane;3,4-dimethylhexane;bis(3-ethyl-4-methylhexane);bis(2-methylbutane);tris(3-methylpentane)?
The IUPAC name of 4-butan-2-yl-3,5-diethylheptane;3,4-diethyl-5-methylheptane;3,5-diethyl-4-methylheptane;3,4-dimethylhexane;bis(3-ethyl-4-methylhexane);bis(2-methylbutane);tris(3-methylpentane) (CID 165078290) is 4-butan-2-yl-3,5-diethylheptane;3,4-diethyl-5-methylheptane;3,5-diethyl-4-methylheptane;3,4-dimethylhexane;bis(3-ethyl-4-methylhexane);bis(2-methylbutane);tris(3-methylpentane).
What is the SMILES notation for 4-butan-2-yl-3,5-diethylheptane;3,4-diethyl-5-methylheptane;3,5-diethyl-4-methylheptane;3,4-dimethylhexane;bis(3-ethyl-4-methylhexane);bis(2-methylbutane);tris(3-methylpentane)?
The canonical SMILES for 4-butan-2-yl-3,5-diethylheptane;3,4-diethyl-5-methylheptane;3,5-diethyl-4-methylheptane;3,4-dimethylhexane;bis(3-ethyl-4-methylhexane);bis(2-methylbutane);tris(3-methylpentane) is CCC(C)C.CCC(C)C.CCC(C)C(C(CC)CC)C(CC)CC.CCC(C)C(C)CC.CCC(C)C(CC)C(CC)CC.CCC(C)C(CC)CC.CCC(C)C(CC)CC.CCC(C)CC.CCC(C)CC.CCC(C)CC.CCC(CC)C(C)C(CC)CC.
What is the InChIKey of 4-butan-2-yl-3,5-diethylheptane;3,4-diethyl-5-methylheptane;3,5-diethyl-4-methylheptane;3,4-dimethylhexane;bis(3-ethyl-4-methylhexane);bis(2-methylbutane);tris(3-methylpentane)?
The InChIKey is UROMCKUNMRGPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32.2C12H26.2C9H20.C8H18.3C6H14.2C5H12/c1-7-12(6)15(13(8-2)9-3)14(10-4)11-5;1-6-11(7-2)10(5)12(8-3)9-4;1-6-10(5)12(9-4)11(7-2)8-3;2*1-5-8(4)9(6-2)7-3;1-5-7(3)8(4)6-2;3*1-4-6(3)5-2;2*1-4-5(2)3/h12-15H,7-11H2,1-6H3;2*10-12H,6-9H2,1-5H3;2*8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;3*6H,4-5H2,1-3H3;2*5H,4H2,1-3H3.
What are the key properties of 4-butan-2-yl-3,5-diethylheptane;3,4-diethyl-5-methylheptane;3,5-diethyl-4-methylheptane;3,4-dimethylhexane;bis(3-ethyl-4-methylhexane);bis(2-methylbutane);tris(3-methylpentane)?
4-butan-2-yl-3,5-diethylheptane;3,4-diethyl-5-methylheptane;3,5-diethyl-4-methylheptane;3,4-dimethylhexane;bis(3-ethyl-4-methylhexane);bis(2-methylbutane);tris(3-methylpentane) has a molecular weight of 1326.69 g/mol, XLogP of 35.96, 39 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-3,5-diethylheptane;3,4-diethyl-5-methylheptane;3,5-diethyl-4-methylheptane;3,4-dimethylhexane;bis(3-ethyl-4-methylhexane);bis(2-methylbutane);tris(3-methylpentane) is sourced from PubChem (CID 165078290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).