butane;3,6-dimethylocta-1,7-diene;ethane;propane

C19H42 — CID 144723339

IUPACbutane;3,6-dimethylocta-1,7-diene;ethane;propane
SMILESC=CC(C)CCC(C)C=C.CC.CCC.CCCC
InChIInChI=1S/C10H18.C4H10.C3H8.C2H6/c1-5-9(3)7-8-10(4)6-2;1-3-4-2;1-3-2;1-2/h5-6,9-10H,1-2,7-8H2,3-4H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyRONDNWNWAKMQJJ-UHFFFAOYSA-N
MW270.54 g/mol
LogP7.66
Rot. Bonds6

About butane;3,6-dimethylocta-1,7-diene;ethane;propane

butane;3,6-dimethylocta-1,7-diene;ethane;propane (PubChem CID 144723339) has the molecular formula C19H42 and a molecular weight of 270.54 g/mol. Its IUPAC name is butane;3,6-dimethylocta-1,7-diene;ethane;propane.

Molecular Properties

Compound Namebutane;3,6-dimethylocta-1,7-diene;ethane;propane
PubChem CID144723339
Molecular FormulaC19H42
Molecular Weight270.54 g/mol
Exact Mass270.33
IUPAC Namebutane;3,6-dimethylocta-1,7-diene;ethane;propane
SMILESC=CC(C)CCC(C)C=C.CC.CCC.CCCC
InChIInChI=1S/C10H18.C4H10.C3H8.C2H6/c1-5-9(3)7-8-10(4)6-2;1-3-4-2;1-3-2;1-2/h5-6,9-10H,1-2,7-8H2,3-4H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyRONDNWNWAKMQJJ-UHFFFAOYSA-N
XLogP7.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.54
LogP ≤ 57.66
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

3,6-dimethylhept-1-ene;ethane
CID 142076338
acetylene;3-methylhept-1-ene;propane
CID 144520771
3,6-dimethylhept-1-ene
CID 18443713
2,5-dimethylhept-6-enal
CID 88788284
3,6,8-trimethyldodec-1-ene
CID 123174555
carbonic acid;3-methylhex-1-ene
CID 161181273
3,6,7,10-tetramethyldodec-1-ene
CID 143243689
3,6,7,10-tetramethylundec-1-ene
CID 123914302
(3S)-3-methylhepta-1,6-diene
CID 145257056
N,5-dimethylhept-6-en-2-amine
CID 138518123
butane;ethane;propane;prop-1-ene
CID 143366707
3-methyltrideca-1,7-diene
CID 173000004

Frequently Asked Questions

What is the IUPAC name of butane;3,6-dimethylocta-1,7-diene;ethane;propane?
The IUPAC name of butane;3,6-dimethylocta-1,7-diene;ethane;propane (CID 144723339) is butane;3,6-dimethylocta-1,7-diene;ethane;propane.
What is the SMILES notation for butane;3,6-dimethylocta-1,7-diene;ethane;propane?
The canonical SMILES for butane;3,6-dimethylocta-1,7-diene;ethane;propane is C=CC(C)CCC(C)C=C.CC.CCC.CCCC.
What is the InChIKey of butane;3,6-dimethylocta-1,7-diene;ethane;propane?
The InChIKey is RONDNWNWAKMQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.C4H10.C3H8.C2H6/c1-5-9(3)7-8-10(4)6-2;1-3-4-2;1-3-2;1-2/h5-6,9-10H,1-2,7-8H2,3-4H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of butane;3,6-dimethylocta-1,7-diene;ethane;propane?
butane;3,6-dimethylocta-1,7-diene;ethane;propane has a molecular weight of 270.54 g/mol, XLogP of 7.66, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;3,6-dimethylocta-1,7-diene;ethane;propane is sourced from PubChem (CID 144723339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).