2,4-dimethylpent-1-ene;ethane;6-methoxy-2,2,4,4,5,5-hexamethylhexanal

C24H52O2 — CID 143668094

IUPAC2,4-dimethylpent-1-ene;ethane;6-methoxy-2,2,4,4,5,5-hexamethylhexanal
SMILESC=C(C)CC(C)C.CC.CC.COCC(C)(C)C(C)(C)CC(C)(C)C=O
InChIInChI=1S/C13H26O2.C7H14.2C2H6/c1-11(2,9-14)8-12(3,4)13(5,6)10-15-7;1-6(2)5-7(3)4;2*1-2/h9H,8,10H2,1-7H3;7H,1,5H2,2-4H3;2*1-2H3
InChIKeyYTJLGIHBTIGDCK-UHFFFAOYSA-N
MW372.68 g/mol
LogP7.96
Rot. Bonds8

About 2,4-dimethylpent-1-ene;ethane;6-methoxy-2,2,4,4,5,5-hexamethylhexanal

2,4-dimethylpent-1-ene;ethane;6-methoxy-2,2,4,4,5,5-hexamethylhexanal (PubChem CID 143668094) has the molecular formula C24H52O2 and a molecular weight of 372.68 g/mol. Its IUPAC name is 2,4-dimethylpent-1-ene;ethane;6-methoxy-2,2,4,4,5,5-hexamethylhexanal.

Molecular Properties

Compound Name2,4-dimethylpent-1-ene;ethane;6-methoxy-2,2,4,4,5,5-hexamethylhexanal
PubChem CID143668094
Molecular FormulaC24H52O2
Molecular Weight372.68 g/mol
Exact Mass372.40
IUPAC Name2,4-dimethylpent-1-ene;ethane;6-methoxy-2,2,4,4,5,5-hexamethylhexanal
SMILESC=C(C)CC(C)C.CC.CC.COCC(C)(C)C(C)(C)CC(C)(C)C=O
InChIInChI=1S/C13H26O2.C7H14.2C2H6/c1-11(2,9-14)8-12(3,4)13(5,6)10-15-7;1-6(2)5-7(3)4;2*1-2/h9H,8,10H2,1-7H3;7H,1,5H2,2-4H3;2*1-2H3
InChIKeyYTJLGIHBTIGDCK-UHFFFAOYSA-N
XLogP7.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.68
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethylhexyl 3,5,5-trimethyl-3-prop-1-en-2-ylhexanoate
CID 90802075
Ethyl 4,4,5-trimethylhept-6-enoate;4,4,5-trimethylhept-6-enal
CID 161362311
(1S,2R,4S)-2-(methoxymethyl)-2,4-dimethyl-3-methylidenecyclobutane-1-carbaldehyde
CID 163693945

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpent-1-ene;ethane;6-methoxy-2,2,4,4,5,5-hexamethylhexanal?
The IUPAC name of 2,4-dimethylpent-1-ene;ethane;6-methoxy-2,2,4,4,5,5-hexamethylhexanal (CID 143668094) is 2,4-dimethylpent-1-ene;ethane;6-methoxy-2,2,4,4,5,5-hexamethylhexanal.
What is the SMILES notation for 2,4-dimethylpent-1-ene;ethane;6-methoxy-2,2,4,4,5,5-hexamethylhexanal?
The canonical SMILES for 2,4-dimethylpent-1-ene;ethane;6-methoxy-2,2,4,4,5,5-hexamethylhexanal is C=C(C)CC(C)C.CC.CC.COCC(C)(C)C(C)(C)CC(C)(C)C=O.
What is the InChIKey of 2,4-dimethylpent-1-ene;ethane;6-methoxy-2,2,4,4,5,5-hexamethylhexanal?
The InChIKey is YTJLGIHBTIGDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2.C7H14.2C2H6/c1-11(2,9-14)8-12(3,4)13(5,6)10-15-7;1-6(2)5-7(3)4;2*1-2/h9H,8,10H2,1-7H3;7H,1,5H2,2-4H3;2*1-2H3.
What are the key properties of 2,4-dimethylpent-1-ene;ethane;6-methoxy-2,2,4,4,5,5-hexamethylhexanal?
2,4-dimethylpent-1-ene;ethane;6-methoxy-2,2,4,4,5,5-hexamethylhexanal has a molecular weight of 372.68 g/mol, XLogP of 7.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpent-1-ene;ethane;6-methoxy-2,2,4,4,5,5-hexamethylhexanal is sourced from PubChem (CID 143668094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).