2,4-dimethylpenta-1,3-diene;ethane;4-ethyl-4-methylheptane;2-methylbut-1-ene;pentane

C29H62 — CID 170590638

IUPAC2,4-dimethylpenta-1,3-diene;ethane;4-ethyl-4-methylheptane;2-methylbut-1-ene;pentane
SMILESC=C(C)C=C(C)C.C=C(C)CC.CC.CCCC(C)(CC)CCC.CCCCC
InChIInChI=1S/C10H22.C7H12.C5H10.C5H12.C2H6/c1-5-8-10(4,7-3)9-6-2;1-6(2)5-7(3)4;1-4-5(2)3;1-3-5-4-2;1-2/h5-9H2,1-4H3;5H,1H2,2-4H3;2,4H2,1,3H3;3-5H2,1-2H3;1-2H3
InChIKeyMOBVIOUTZBKIQC-UHFFFAOYSA-N
MW410.82 g/mol
LogP11.73
Rot. Bonds9

About 2,4-dimethylpenta-1,3-diene;ethane;4-ethyl-4-methylheptane;2-methylbut-1-ene;pentane

2,4-dimethylpenta-1,3-diene;ethane;4-ethyl-4-methylheptane;2-methylbut-1-ene;pentane (PubChem CID 170590638) has the molecular formula C29H62 and a molecular weight of 410.82 g/mol. Its IUPAC name is 2,4-dimethylpenta-1,3-diene;ethane;4-ethyl-4-methylheptane;2-methylbut-1-ene;pentane.

Molecular Properties

Compound Name2,4-dimethylpenta-1,3-diene;ethane;4-ethyl-4-methylheptane;2-methylbut-1-ene;pentane
PubChem CID170590638
Molecular FormulaC29H62
Molecular Weight410.82 g/mol
Exact Mass410.49
IUPAC Name2,4-dimethylpenta-1,3-diene;ethane;4-ethyl-4-methylheptane;2-methylbut-1-ene;pentane
SMILESC=C(C)C=C(C)C.C=C(C)CC.CC.CCCC(C)(CC)CCC.CCCCC
InChIInChI=1S/C10H22.C7H12.C5H10.C5H12.C2H6/c1-5-8-10(4,7-3)9-6-2;1-6(2)5-7(3)4;1-4-5(2)3;1-3-5-4-2;1-2/h5-9H2,1-4H3;5H,1H2,2-4H3;2,4H2,1,3H3;3-5H2,1-2H3;1-2H3
InChIKeyMOBVIOUTZBKIQC-UHFFFAOYSA-N
XLogP11.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.82
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-4-methylheptane;2-methylprop-1-ene
CID 170590523
ethane;4-ethyl-4-methylnonane
CID 164538733
2,4-dimethylpenta-1,3-diene;ethane
CID 144511028
4-ethyl-4-methyloctane;propane
CID 176660925
butane;ethane;2-methylbut-1-ene
CID 142050807
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735
2,4-dimethylpenta-1,3-diene;rhodium
CID 175138892
carbanide;bis(2,4-dimethylpenta-1,3-diene);ruthenium(2+)
CID 162297697
(3Z)-2,4-dimethylhexa-1,3-diene;ethane
CID 145177084
hex-1-ene;2-methylbut-1-ene
CID 172686626
4-ethyl-4-methyloctane;isocyanic acid
CID 87136372
but-1-ene;2-methylbut-1-ene
CID 90770104

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpenta-1,3-diene;ethane;4-ethyl-4-methylheptane;2-methylbut-1-ene;pentane?
The IUPAC name of 2,4-dimethylpenta-1,3-diene;ethane;4-ethyl-4-methylheptane;2-methylbut-1-ene;pentane (CID 170590638) is 2,4-dimethylpenta-1,3-diene;ethane;4-ethyl-4-methylheptane;2-methylbut-1-ene;pentane.
What is the SMILES notation for 2,4-dimethylpenta-1,3-diene;ethane;4-ethyl-4-methylheptane;2-methylbut-1-ene;pentane?
The canonical SMILES for 2,4-dimethylpenta-1,3-diene;ethane;4-ethyl-4-methylheptane;2-methylbut-1-ene;pentane is C=C(C)C=C(C)C.C=C(C)CC.CC.CCCC(C)(CC)CCC.CCCCC.
What is the InChIKey of 2,4-dimethylpenta-1,3-diene;ethane;4-ethyl-4-methylheptane;2-methylbut-1-ene;pentane?
The InChIKey is MOBVIOUTZBKIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C7H12.C5H10.C5H12.C2H6/c1-5-8-10(4,7-3)9-6-2;1-6(2)5-7(3)4;1-4-5(2)3;1-3-5-4-2;1-2/h5-9H2,1-4H3;5H,1H2,2-4H3;2,4H2,1,3H3;3-5H2,1-2H3;1-2H3.
What are the key properties of 2,4-dimethylpenta-1,3-diene;ethane;4-ethyl-4-methylheptane;2-methylbut-1-ene;pentane?
2,4-dimethylpenta-1,3-diene;ethane;4-ethyl-4-methylheptane;2-methylbut-1-ene;pentane has a molecular weight of 410.82 g/mol, XLogP of 11.73, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpenta-1,3-diene;ethane;4-ethyl-4-methylheptane;2-methylbut-1-ene;pentane is sourced from PubChem (CID 170590638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).