2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)

C18H38 — CID 158413804

IUPAC2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)
SMILESC=C(C)C(C)C.C=C(C)C(C)C.CC(C)C(C)C
InChIInChI=1S/C6H14.2C6H12/c3*1-5(2)6(3)4/h5-6H,1-4H3;2*6H,1H2,2-4H3
InChIKeyGZQCIFKQYBLQSA-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.74
Rot. Bonds3

About 2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)

2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene) (PubChem CID 158413804) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene).

Molecular Properties

Compound Name2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)
PubChem CID158413804
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)
SMILESC=C(C)C(C)C.C=C(C)C(C)C.CC(C)C(C)C
InChIInChI=1S/C6H14.2C6H12/c3*1-5(2)6(3)4/h5-6H,1-4H3;2*6H,1H2,2-4H3
InChIKeyGZQCIFKQYBLQSA-UHFFFAOYSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-3-propan-2-ylpent-1-ene
CID 91388460
3-methylbutane-2-thione;(3S)-2,3,4-trimethylpent-1-ene
CID 163218774
2,3-dimethylbutane;methanol
CID 142260145
(3S,4S)-2,4,5-trimethylhex-5-en-3-ol
CID 14979804
(3R,4S)-2,4,5-trimethylhex-5-en-3-ol
CID 14979803
ethane;(3S)-2,3,4,4-tetramethylpent-1-ene
CID 145347239
3-methylbut-3-en-2-ylcyclopropane
CID 91068451
(2,5-dimethyl-4-prop-1-en-2-ylhex-5-en-3-yl)-(3-methylbutan-2-ylidene)borane
CID 174076826
acetic acid;3-methylbut-1-en-2-ol
CID 71446576
(3R)-2,3,5-trimethyl-4-methylidenehexane
CID 58859453
3-(chloromethyl)-2,4-dimethylpent-1-ene
CID 169183451
2-methylpropane;prop-1-en-2-amine
CID 174893746

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)?
The IUPAC name of 2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene) (CID 158413804) is 2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene).
What is the SMILES notation for 2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)?
The canonical SMILES for 2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene) is C=C(C)C(C)C.C=C(C)C(C)C.CC(C)C(C)C.
What is the InChIKey of 2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)?
The InChIKey is GZQCIFKQYBLQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.2C6H12/c3*1-5(2)6(3)4/h5-6H,1-4H3;2*6H,1H2,2-4H3.
What are the key properties of 2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)?
2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene) has a molecular weight of 254.50 g/mol, XLogP of 6.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene) is sourced from PubChem (CID 158413804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).