4,5-dimethyl-5-propylnonane;ethane

C22H54 — CID 144518109

IUPAC4,5-dimethyl-5-propylnonane;ethane
SMILESCC.CC.CC.CC.CCCCC(C)(CCC)C(C)CCC
InChIInChI=1S/C14H30.4C2H6/c1-6-9-12-14(5,11-8-3)13(4)10-7-2;4*1-2/h13H,6-12H2,1-5H3;4*1-2H3
InChIKeyXAOINFOTXCKNCT-UHFFFAOYSA-N
MW318.67 g/mol
LogP9.52
Rot. Bonds8

About 4,5-dimethyl-5-propylnonane;ethane

4,5-dimethyl-5-propylnonane;ethane (PubChem CID 144518109) has the molecular formula C22H54 and a molecular weight of 318.67 g/mol. Its IUPAC name is 4,5-dimethyl-5-propylnonane;ethane.

Molecular Properties

Compound Name4,5-dimethyl-5-propylnonane;ethane
PubChem CID144518109
Molecular FormulaC22H54
Molecular Weight318.67 g/mol
Exact Mass318.42
IUPAC Name4,5-dimethyl-5-propylnonane;ethane
SMILESCC.CC.CC.CC.CCCCC(C)(CCC)C(C)CCC
InChIInChI=1S/C14H30.4C2H6/c1-6-9-12-14(5,11-8-3)13(4)10-7-2;4*1-2/h13H,6-12H2,1-5H3;4*1-2H3
InChIKeyXAOINFOTXCKNCT-UHFFFAOYSA-N
XLogP9.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.67
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-ethyl-2,6,7-trimethyldecane
CID 123269799
3-methyl-3-propyloctan-2-ol
CID 20501793
4-ethyl-3,4-dimethylundecan-1-ol
CID 123259629
4,5,5-trimethyldodecane
CID 123360574
6-ethyl-3,4-dimethyl-4-propyldecane
CID 123655302
6-methyl-6-propan-2-ylundecane
CID 87930599
3-methyl-3-propylhexan-2-ol
CID 20501676
2-ethyl-2,3-dimethyl-N-propylhexan-1-amine
CID 107897400
ethane;3,3,4-trimethylheptan-1-amine
CID 143679241
3-(2-hydroxyethyl)-4-methyl-4-propyloctan-2-one
CID 166816234
3-butyl-3-(4,5-dimethylnonan-5-yl)dioxirane
CID 89049285
6,10-diethyl-2,6,7,10,12-pentamethylpentadecane
CID 123590734

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-5-propylnonane;ethane?
The IUPAC name of 4,5-dimethyl-5-propylnonane;ethane (CID 144518109) is 4,5-dimethyl-5-propylnonane;ethane.
What is the SMILES notation for 4,5-dimethyl-5-propylnonane;ethane?
The canonical SMILES for 4,5-dimethyl-5-propylnonane;ethane is CC.CC.CC.CC.CCCCC(C)(CCC)C(C)CCC.
What is the InChIKey of 4,5-dimethyl-5-propylnonane;ethane?
The InChIKey is XAOINFOTXCKNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30.4C2H6/c1-6-9-12-14(5,11-8-3)13(4)10-7-2;4*1-2/h13H,6-12H2,1-5H3;4*1-2H3.
What are the key properties of 4,5-dimethyl-5-propylnonane;ethane?
4,5-dimethyl-5-propylnonane;ethane has a molecular weight of 318.67 g/mol, XLogP of 9.52, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-5-propylnonane;ethane is sourced from PubChem (CID 144518109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).