bis(2,2-dimethylpentane);3,3-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;2,2,4,4-tetramethylpentane;bis(2,3,4,4-tetramethylpent-2-ene);bis(2,4,4-trimethylpent-2-ene);bis((Z)-3,4,4-trimethylpent-2-ene)

C87H182 — CID 159257854

IUPACbis(2,2-dimethylpentane);3,3-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;2,2,4,4-tetramethylpentane;bis(2,3,4,4-tetramethylpent-2-ene);bis(2,4,4-trimethylpent-2-ene);bis((Z)-3,4,4-trimethylpent-2-ene)
SMILESC/C=C(/C)C(C)(C)C.C/C=C(/C)C(C)(C)C.C/C=C\C(C)(C)C.CC(C)(C)CC(C)(C)C.CC(C)=C(C)C(C)(C)C.CC(C)=C(C)C(C)(C)C.CC(C)=CC(C)(C)C.CC(C)=CC(C)(C)C.CCC(C)(C)CC.CCCC(C)(C)C.CCCC(C)(C)C
InChIInChI=1S/C9H20.2C9H18.4C8H16.2C7H16.C7H14.C7H16/c1-8(2,3)7-9(4,5)6;2*1-7(2)8(3)9(4,5)6;2*1-7(2)6-8(3,4)5;2*1-6-7(2)8(3,4)5;3*1-5-6-7(2,3)4;1-5-7(3,4)6-2/h7H2,1-6H3;2*1-6H3;4*6H,1-5H3;2*5-6H2,1-4H3;5-6H,1-4H3;5-6H2,1-4H3/b;;;;;2*7-6-;;;6-5-;
InChIKeyKWDABPNSLMDUCL-WDKFNAMRSA-N
MW1228.41 g/mol
LogP33.35
Rot. Bonds4

About bis(2,2-dimethylpentane);3,3-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;2,2,4,4-tetramethylpentane;bis(2,3,4,4-tetramethylpent-2-ene);bis(2,4,4-trimethylpent-2-ene);bis((Z)-3,4,4-trimethylpent-2-ene)

bis(2,2-dimethylpentane);3,3-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;2,2,4,4-tetramethylpentane;bis(2,3,4,4-tetramethylpent-2-ene);bis(2,4,4-trimethylpent-2-ene);bis((Z)-3,4,4-trimethylpent-2-ene) (PubChem CID 159257854) has the molecular formula C87H182 and a molecular weight of 1228.41 g/mol. Its IUPAC name is bis(2,2-dimethylpentane);3,3-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;2,2,4,4-tetramethylpentane;bis(2,3,4,4-tetramethylpent-2-ene);bis(2,4,4-trimethylpent-2-ene);bis((Z)-3,4,4-trimethylpent-2-ene).

Molecular Properties

Compound Namebis(2,2-dimethylpentane);3,3-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;2,2,4,4-tetramethylpentane;bis(2,3,4,4-tetramethylpent-2-ene);bis(2,4,4-trimethylpent-2-ene);bis((Z)-3,4,4-trimethylpent-2-ene)
PubChem CID159257854
Molecular FormulaC87H182
Molecular Weight1228.41 g/mol
Exact Mass1227.42
IUPAC Namebis(2,2-dimethylpentane);3,3-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;2,2,4,4-tetramethylpentane;bis(2,3,4,4-tetramethylpent-2-ene);bis(2,4,4-trimethylpent-2-ene);bis((Z)-3,4,4-trimethylpent-2-ene)
SMILESC/C=C(/C)C(C)(C)C.C/C=C(/C)C(C)(C)C.C/C=C\C(C)(C)C.CC(C)(C)CC(C)(C)C.CC(C)=C(C)C(C)(C)C.CC(C)=C(C)C(C)(C)C.CC(C)=CC(C)(C)C.CC(C)=CC(C)(C)C.CCC(C)(C)CC.CCCC(C)(C)C.CCCC(C)(C)C
InChIInChI=1S/C9H20.2C9H18.4C8H16.2C7H16.C7H14.C7H16/c1-8(2,3)7-9(4,5)6;2*1-7(2)8(3)9(4,5)6;2*1-7(2)6-8(3,4)5;2*1-6-7(2)8(3,4)5;3*1-5-6-7(2,3)4;1-5-7(3,4)6-2/h7H2,1-6H3;2*1-6H3;4*6H,1-5H3;2*5-6H2,1-4H3;5-6H,1-4H3;5-6H2,1-4H3/b;;;;;2*7-6-;;;6-5-;
InChIKeyKWDABPNSLMDUCL-WDKFNAMRSA-N
XLogP33.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001228.41
LogP ≤ 533.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze bis(2,2-dimethylpentane);3,3-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;2,2,4,4-tetramethylpentane;bis(2,3,4,4-tetramethylpent-2-ene);bis(2,4,4-trimethylpent-2-ene);bis((Z)-3,4,4-trimethylpent-2-ene) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpentane);3,3-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;2,2,4,4-tetramethylpentane;bis(2,3,4,4-tetramethylpent-2-ene);bis(2,4,4-trimethylpent-2-ene);bis((Z)-3,4,4-trimethylpent-2-ene)?
The IUPAC name of bis(2,2-dimethylpentane);3,3-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;2,2,4,4-tetramethylpentane;bis(2,3,4,4-tetramethylpent-2-ene);bis(2,4,4-trimethylpent-2-ene);bis((Z)-3,4,4-trimethylpent-2-ene) (CID 159257854) is bis(2,2-dimethylpentane);3,3-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;2,2,4,4-tetramethylpentane;bis(2,3,4,4-tetramethylpent-2-ene);bis(2,4,4-trimethylpent-2-ene);bis((Z)-3,4,4-trimethylpent-2-ene).
What is the SMILES notation for bis(2,2-dimethylpentane);3,3-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;2,2,4,4-tetramethylpentane;bis(2,3,4,4-tetramethylpent-2-ene);bis(2,4,4-trimethylpent-2-ene);bis((Z)-3,4,4-trimethylpent-2-ene)?
The canonical SMILES for bis(2,2-dimethylpentane);3,3-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;2,2,4,4-tetramethylpentane;bis(2,3,4,4-tetramethylpent-2-ene);bis(2,4,4-trimethylpent-2-ene);bis((Z)-3,4,4-trimethylpent-2-ene) is C/C=C(/C)C(C)(C)C.C/C=C(/C)C(C)(C)C.C/C=C\C(C)(C)C.CC(C)(C)CC(C)(C)C.CC(C)=C(C)C(C)(C)C.CC(C)=C(C)C(C)(C)C.CC(C)=CC(C)(C)C.CC(C)=CC(C)(C)C.CCC(C)(C)CC.CCCC(C)(C)C.CCCC(C)(C)C.
What is the InChIKey of bis(2,2-dimethylpentane);3,3-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;2,2,4,4-tetramethylpentane;bis(2,3,4,4-tetramethylpent-2-ene);bis(2,4,4-trimethylpent-2-ene);bis((Z)-3,4,4-trimethylpent-2-ene)?
The InChIKey is KWDABPNSLMDUCL-WDKFNAMRSA-N. The full InChI is InChI=1S/C9H20.2C9H18.4C8H16.2C7H16.C7H14.C7H16/c1-8(2,3)7-9(4,5)6;2*1-7(2)8(3)9(4,5)6;2*1-7(2)6-8(3,4)5;2*1-6-7(2)8(3,4)5;3*1-5-6-7(2,3)4;1-5-7(3,4)6-2/h7H2,1-6H3;2*1-6H3;4*6H,1-5H3;2*5-6H2,1-4H3;5-6H,1-4H3;5-6H2,1-4H3/b;;;;;2*7-6-;;;6-5-;.
What are the key properties of bis(2,2-dimethylpentane);3,3-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;2,2,4,4-tetramethylpentane;bis(2,3,4,4-tetramethylpent-2-ene);bis(2,4,4-trimethylpent-2-ene);bis((Z)-3,4,4-trimethylpent-2-ene)?
bis(2,2-dimethylpentane);3,3-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;2,2,4,4-tetramethylpentane;bis(2,3,4,4-tetramethylpent-2-ene);bis(2,4,4-trimethylpent-2-ene);bis((Z)-3,4,4-trimethylpent-2-ene) has a molecular weight of 1228.41 g/mol, XLogP of 33.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylpentane);3,3-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;2,2,4,4-tetramethylpentane;bis(2,3,4,4-tetramethylpent-2-ene);bis(2,4,4-trimethylpent-2-ene);bis((Z)-3,4,4-trimethylpent-2-ene) is sourced from PubChem (CID 159257854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).