2,4-dimethylpentane;ethane;6-methylhept-3-ene;propane

C24H58 — CID 144507824

IUPAC2,4-dimethylpentane;ethane;6-methylhept-3-ene;propane
SMILESCC.CC.CC.CC(C)CC(C)C.CCC.CCC=CCC(C)C
InChIInChI=1S/C8H16.C7H16.C3H8.3C2H6/c1-4-5-6-7-8(2)3;1-6(2)5-7(3)4;1-3-2;3*1-2/h5-6,8H,4,7H2,1-3H3;6-7H,5H2,1-4H3;3H2,1-2H3;3*1-2H3
InChIKeyFXCQUDAUDMOEAJ-UHFFFAOYSA-N
MW346.73 g/mol
LogP10.18
Rot. Bonds5

About 2,4-dimethylpentane;ethane;6-methylhept-3-ene;propane

2,4-dimethylpentane;ethane;6-methylhept-3-ene;propane (PubChem CID 144507824) has the molecular formula C24H58 and a molecular weight of 346.73 g/mol. Its IUPAC name is 2,4-dimethylpentane;ethane;6-methylhept-3-ene;propane.

Molecular Properties

Compound Name2,4-dimethylpentane;ethane;6-methylhept-3-ene;propane
PubChem CID144507824
Molecular FormulaC24H58
Molecular Weight346.73 g/mol
Exact Mass346.45
IUPAC Name2,4-dimethylpentane;ethane;6-methylhept-3-ene;propane
SMILESCC.CC.CC.CC(C)CC(C)C.CCC.CCC=CCC(C)C
InChIInChI=1S/C8H16.C7H16.C3H8.3C2H6/c1-4-5-6-7-8(2)3;1-6(2)5-7(3)4;1-3-2;3*1-2/h5-6,8H,4,7H2,1-3H3;6-7H,5H2,1-4H3;3H2,1-2H3;3*1-2H3
InChIKeyFXCQUDAUDMOEAJ-UHFFFAOYSA-N
XLogP10.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.73
LogP ≤ 510.18
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

10-methylundeca-3,7-diene
CID 91333064
ethane;5-methylhex-2-ene;propane
CID 143336274
N-methylhept-4-en-2-amine
CID 123748755
5-methylhex-2-en-1-amine;hydrochloride
CID 173399515
(3E,5E)-8,10-dimethylundeca-3,5-diene
CID 145119148
ethane;(E)-5-methylhex-2-ene
CID 143114143
(E,2S,4S)-non-6-ene-2,4-diol
CID 102156036
2,4-dimethylpentane
CID 157050020
1-bromo-6-methylhept-3-ene
CID 79006953
butane;2,7-dimethyloct-4-ene;4-methylpent-1-ene
CID 158518430
ethane;2-methylbutane;2-methylpropane;pent-2-ene;propane
CID 143337610
7,7,7-trifluoro-6-methylhept-3-ene
CID 57248627

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentane;ethane;6-methylhept-3-ene;propane?
The IUPAC name of 2,4-dimethylpentane;ethane;6-methylhept-3-ene;propane (CID 144507824) is 2,4-dimethylpentane;ethane;6-methylhept-3-ene;propane.
What is the SMILES notation for 2,4-dimethylpentane;ethane;6-methylhept-3-ene;propane?
The canonical SMILES for 2,4-dimethylpentane;ethane;6-methylhept-3-ene;propane is CC.CC.CC.CC(C)CC(C)C.CCC.CCC=CCC(C)C.
What is the InChIKey of 2,4-dimethylpentane;ethane;6-methylhept-3-ene;propane?
The InChIKey is FXCQUDAUDMOEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C7H16.C3H8.3C2H6/c1-4-5-6-7-8(2)3;1-6(2)5-7(3)4;1-3-2;3*1-2/h5-6,8H,4,7H2,1-3H3;6-7H,5H2,1-4H3;3H2,1-2H3;3*1-2H3.
What are the key properties of 2,4-dimethylpentane;ethane;6-methylhept-3-ene;propane?
2,4-dimethylpentane;ethane;6-methylhept-3-ene;propane has a molecular weight of 346.73 g/mol, XLogP of 10.18, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentane;ethane;6-methylhept-3-ene;propane is sourced from PubChem (CID 144507824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).