ethane;propane;2,3,5-trimethylhept-1-ene;3,3,4-trimethylhexane

C24H54 — CID 155580213

IUPACethane;propane;2,3,5-trimethylhept-1-ene;3,3,4-trimethylhexane
SMILESC=C(C)C(C)CC(C)CC.CC.CCC.CCC(C)C(C)(C)CC
InChIInChI=1S/C10H20.C9H20.C3H8.C2H6/c1-6-9(4)7-10(5)8(2)3;1-6-8(3)9(4,5)7-2;1-3-2;1-2/h9-10H,2,6-7H2,1,3-5H3;8H,6-7H2,1-5H3;3H2,1-2H3;1-2H3
InChIKeyKJXFXVFPZAHNJV-UHFFFAOYSA-N
MW342.70 g/mol
LogP9.55
Rot. Bonds7

About ethane;propane;2,3,5-trimethylhept-1-ene;3,3,4-trimethylhexane

ethane;propane;2,3,5-trimethylhept-1-ene;3,3,4-trimethylhexane (PubChem CID 155580213) has the molecular formula C24H54 and a molecular weight of 342.70 g/mol. Its IUPAC name is ethane;propane;2,3,5-trimethylhept-1-ene;3,3,4-trimethylhexane.

Molecular Properties

Compound Nameethane;propane;2,3,5-trimethylhept-1-ene;3,3,4-trimethylhexane
PubChem CID155580213
Molecular FormulaC24H54
Molecular Weight342.70 g/mol
Exact Mass342.42
IUPAC Nameethane;propane;2,3,5-trimethylhept-1-ene;3,3,4-trimethylhexane
SMILESC=C(C)C(C)CC(C)CC.CC.CCC.CCC(C)C(C)(C)CC
InChIInChI=1S/C10H20.C9H20.C3H8.C2H6/c1-6-9(4)7-10(5)8(2)3;1-6-8(3)9(4,5)7-2;1-3-2;1-2/h9-10H,2,6-7H2,1,3-5H3;8H,6-7H2,1-5H3;3H2,1-2H3;1-2H3
InChIKeyKJXFXVFPZAHNJV-UHFFFAOYSA-N
XLogP9.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.70
LogP ≤ 59.55
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

2,3-dimethylpent-1-ene;ethane
CID 143286891
2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene
CID 158024808
3,5-dimethylheptane;ethane;methanol;propane
CID 176685880
4,4-dimethylpent-1-ene;3,3,4-trimethylhexane
CID 153402313
2,5-dimethylhept-1-en-3-ylhydrazine
CID 105320121
2,3,5,7,8-pentamethylnon-1-ene
CID 177053825
4,6-dimethyl-3-methylideneoct-1-en-2-amine
CID 143352290
2,3,5,8-tetramethylnon-1-ene
CID 123958758
2,3,6,7,10-pentamethyldodec-1-ene;propane
CID 145235190
3,5-dimethylheptane;ethane
CID 172617343
3-butan-2-ylsulfanyl-2,4,4-trimethylhex-1-ene
CID 89226706
3-ethyl-5,6,6-trimethyloct-2-ene
CID 123986789

Frequently Asked Questions

What is the IUPAC name of ethane;propane;2,3,5-trimethylhept-1-ene;3,3,4-trimethylhexane?
The IUPAC name of ethane;propane;2,3,5-trimethylhept-1-ene;3,3,4-trimethylhexane (CID 155580213) is ethane;propane;2,3,5-trimethylhept-1-ene;3,3,4-trimethylhexane.
What is the SMILES notation for ethane;propane;2,3,5-trimethylhept-1-ene;3,3,4-trimethylhexane?
The canonical SMILES for ethane;propane;2,3,5-trimethylhept-1-ene;3,3,4-trimethylhexane is C=C(C)C(C)CC(C)CC.CC.CCC.CCC(C)C(C)(C)CC.
What is the InChIKey of ethane;propane;2,3,5-trimethylhept-1-ene;3,3,4-trimethylhexane?
The InChIKey is KJXFXVFPZAHNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C9H20.C3H8.C2H6/c1-6-9(4)7-10(5)8(2)3;1-6-8(3)9(4,5)7-2;1-3-2;1-2/h9-10H,2,6-7H2,1,3-5H3;8H,6-7H2,1-5H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;propane;2,3,5-trimethylhept-1-ene;3,3,4-trimethylhexane?
ethane;propane;2,3,5-trimethylhept-1-ene;3,3,4-trimethylhexane has a molecular weight of 342.70 g/mol, XLogP of 9.55, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;2,3,5-trimethylhept-1-ene;3,3,4-trimethylhexane is sourced from PubChem (CID 155580213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).