3,7-diethyl-5-methyl-4,6-di(pentan-3-yl)nonane

C24H50 — CID 165016406

IUPAC3,7-diethyl-5-methyl-4,6-di(pentan-3-yl)nonane
SMILESCCC(CC)C(C(CC)CC)C(C)C(C(CC)CC)C(CC)CC
InChIInChI=1S/C24H50/c1-10-19(11-2)23(20(12-3)13-4)18(9)24(21(14-5)15-6)22(16-7)17-8/h18-24H,10-17H2,1-9H3
InChIKeyMUOWITOUXGQPHP-UHFFFAOYSA-N
MW338.66 g/mol
LogP8.60
Rot. Bonds14

About 3,7-diethyl-5-methyl-4,6-di(pentan-3-yl)nonane

3,7-diethyl-5-methyl-4,6-di(pentan-3-yl)nonane (PubChem CID 165016406) has the molecular formula C24H50 and a molecular weight of 338.66 g/mol. Its IUPAC name is 3,7-diethyl-5-methyl-4,6-di(pentan-3-yl)nonane.

Molecular Properties

Compound Name3,7-diethyl-5-methyl-4,6-di(pentan-3-yl)nonane
PubChem CID165016406
Molecular FormulaC24H50
Molecular Weight338.66 g/mol
Exact Mass338.39
IUPAC Name3,7-diethyl-5-methyl-4,6-di(pentan-3-yl)nonane
SMILESCCC(CC)C(C(CC)CC)C(C)C(C(CC)CC)C(CC)CC
InChIInChI=1S/C24H50/c1-10-19(11-2)23(20(12-3)13-4)18(9)24(21(14-5)15-6)22(16-7)17-8/h18-24H,10-17H2,1-9H3
InChIKeyMUOWITOUXGQPHP-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.66
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4R)-3-ethyl-4-methylhexane
CID 59954491
5-ethyl-2,3,4-trimethylheptane
CID 53428868
3,4-diethylhexane;ethane
CID 178112158
5-ethyl-3,4-dimethylheptan-2-amine
CID 146192977
3-ethyl-2-fluoropentane
CID 144624740
4-ethyl-2-methyl-3-propan-2-ylheptane
CID 57491433
7-ethyl-2,3,4,5,9-pentamethyl-8-propan-2-yldecane
CID 123419631
3-ethyl-N-(3-ethylpentan-2-yl)pentan-2-amine
CID 87914050
(3R)-3-(fluoromethyl)-2-methylpentane
CID 88580229
7-ethyl-3,4,5,9-tetramethyl-8-propan-2-ylundecane
CID 90819140
2-methylbutane
CID 159175971
2-methylbutane
CID 158117812

Frequently Asked Questions

What is the IUPAC name of 3,7-diethyl-5-methyl-4,6-di(pentan-3-yl)nonane?
The IUPAC name of 3,7-diethyl-5-methyl-4,6-di(pentan-3-yl)nonane (CID 165016406) is 3,7-diethyl-5-methyl-4,6-di(pentan-3-yl)nonane.
What is the SMILES notation for 3,7-diethyl-5-methyl-4,6-di(pentan-3-yl)nonane?
The canonical SMILES for 3,7-diethyl-5-methyl-4,6-di(pentan-3-yl)nonane is CCC(CC)C(C(CC)CC)C(C)C(C(CC)CC)C(CC)CC.
What is the InChIKey of 3,7-diethyl-5-methyl-4,6-di(pentan-3-yl)nonane?
The InChIKey is MUOWITOUXGQPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50/c1-10-19(11-2)23(20(12-3)13-4)18(9)24(21(14-5)15-6)22(16-7)17-8/h18-24H,10-17H2,1-9H3.
What are the key properties of 3,7-diethyl-5-methyl-4,6-di(pentan-3-yl)nonane?
3,7-diethyl-5-methyl-4,6-di(pentan-3-yl)nonane has a molecular weight of 338.66 g/mol, XLogP of 8.60, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diethyl-5-methyl-4,6-di(pentan-3-yl)nonane is sourced from PubChem (CID 165016406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).