3,4-dimethyloctane;ethane;ethene;propane

C17H40 — CID 142827223

IUPAC3,4-dimethyloctane;ethane;ethene;propane
SMILESC=C.CC.CCC.CCCCC(C)C(C)CC
InChIInChI=1S/C10H22.C3H8.C2H6.C2H4/c1-5-7-8-10(4)9(3)6-2;1-3-2;2*1-2/h9-10H,5-8H2,1-4H3;3H2,1-2H3;1-2H3;1-2H2
InChIKeyIRYROUARLZVURR-UHFFFAOYSA-N
MW244.51 g/mol
LogP7.10
Rot. Bonds5

About 3,4-dimethyloctane;ethane;ethene;propane

3,4-dimethyloctane;ethane;ethene;propane (PubChem CID 142827223) has the molecular formula C17H40 and a molecular weight of 244.51 g/mol. Its IUPAC name is 3,4-dimethyloctane;ethane;ethene;propane.

Molecular Properties

Compound Name3,4-dimethyloctane;ethane;ethene;propane
PubChem CID142827223
Molecular FormulaC17H40
Molecular Weight244.51 g/mol
Exact Mass244.31
IUPAC Name3,4-dimethyloctane;ethane;ethene;propane
SMILESC=C.CC.CCC.CCCCC(C)C(C)CC
InChIInChI=1S/C10H22.C3H8.C2H6.C2H4/c1-5-7-8-10(4)9(3)6-2;1-3-2;2*1-2/h9-10H,5-8H2,1-4H3;3H2,1-2H3;1-2H3;1-2H2
InChIKeyIRYROUARLZVURR-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.51
LogP ≤ 57.10
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

3,4-dimethyldecane;ethane
CID 170980289
5,6,14,15-tetramethylnonadecane
CID 123473711
4-fluoro-3-methyloctane
CID 89416555
(3R)-2,3-dimethylheptane;ethane
CID 163241846
2,3-dimethylheptane;ethane
CID 156648444
(3R)-3,4-dimethylheptane
CID 59819300
(5S,6R)-2,5,6-trimethyldecane
CID 154723790
3,5,6-trimethyldecane
CID 57490917
ethane;2-methylhexane;propane
CID 144516512
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyloctane;ethane;ethene;propane?
The IUPAC name of 3,4-dimethyloctane;ethane;ethene;propane (CID 142827223) is 3,4-dimethyloctane;ethane;ethene;propane.
What is the SMILES notation for 3,4-dimethyloctane;ethane;ethene;propane?
The canonical SMILES for 3,4-dimethyloctane;ethane;ethene;propane is C=C.CC.CCC.CCCCC(C)C(C)CC.
What is the InChIKey of 3,4-dimethyloctane;ethane;ethene;propane?
The InChIKey is IRYROUARLZVURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C3H8.C2H6.C2H4/c1-5-7-8-10(4)9(3)6-2;1-3-2;2*1-2/h9-10H,5-8H2,1-4H3;3H2,1-2H3;1-2H3;1-2H2.
What are the key properties of 3,4-dimethyloctane;ethane;ethene;propane?
3,4-dimethyloctane;ethane;ethene;propane has a molecular weight of 244.51 g/mol, XLogP of 7.10, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyloctane;ethane;ethene;propane is sourced from PubChem (CID 142827223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).