2,2,3,3,4,7-hexamethyl-5-propyloctane

C17H36 — CID 123420918

IUPAC2,2,3,3,4,7-hexamethyl-5-propyloctane
SMILESCCCC(CC(C)C)C(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C17H36/c1-10-11-15(12-13(2)3)14(4)17(8,9)16(5,6)7/h13-15H,10-12H2,1-9H3
InChIKeyHPGOVOYJCCZNFJ-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.16
Rot. Bonds6

About 2,2,3,3,4,7-hexamethyl-5-propyloctane

2,2,3,3,4,7-hexamethyl-5-propyloctane (PubChem CID 123420918) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 2,2,3,3,4,7-hexamethyl-5-propyloctane.

Molecular Properties

Compound Name2,2,3,3,4,7-hexamethyl-5-propyloctane
PubChem CID123420918
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name2,2,3,3,4,7-hexamethyl-5-propyloctane
SMILESCCCC(CC(C)C)C(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C17H36/c1-10-11-15(12-13(2)3)14(4)17(8,9)16(5,6)7/h13-15H,10-12H2,1-9H3
InChIKeyHPGOVOYJCCZNFJ-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-4-propan-2-ylheptane
CID 21201044
2,5-dimethyl-4-propyloctane
CID 57491236
4-ethyl-2,8-dimethyl-5-propylnonane
CID 143343075
2,5,11-trimethyl-4-propyldodecane
CID 123176237
2-methylpentane
CID 7892
7-ethyl-2,3,6,9-tetramethyl-4-propyldecane
CID 171102874
3-tert-butyl-2,2-dimethylhexane
CID 53428784
2,2,3,5-tetramethyl-4-(2-methylpropyl)octane
CID 90766744
2-methyl-4-propylnonan-5-ol
CID 156689465
5-ethyl-2-methyl-4-pentan-3-yloctane
CID 123673781
azane;2-methylpentane
CID 18347292
ethane;2-methylpentane
CID 143713716

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,7-hexamethyl-5-propyloctane?
The IUPAC name of 2,2,3,3,4,7-hexamethyl-5-propyloctane (CID 123420918) is 2,2,3,3,4,7-hexamethyl-5-propyloctane.
What is the SMILES notation for 2,2,3,3,4,7-hexamethyl-5-propyloctane?
The canonical SMILES for 2,2,3,3,4,7-hexamethyl-5-propyloctane is CCCC(CC(C)C)C(C)C(C)(C)C(C)(C)C.
What is the InChIKey of 2,2,3,3,4,7-hexamethyl-5-propyloctane?
The InChIKey is HPGOVOYJCCZNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-10-11-15(12-13(2)3)14(4)17(8,9)16(5,6)7/h13-15H,10-12H2,1-9H3.
What are the key properties of 2,2,3,3,4,7-hexamethyl-5-propyloctane?
2,2,3,3,4,7-hexamethyl-5-propyloctane has a molecular weight of 240.47 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,7-hexamethyl-5-propyloctane is sourced from PubChem (CID 123420918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).