2,7-dimethyloctane;2,4,6-trimethylheptane

C20H44 — CID 160877277

IUPAC2,7-dimethyloctane;2,4,6-trimethylheptane
SMILESCC(C)CC(C)CC(C)C.CC(C)CCCCC(C)C
InChIInChI=1S/2C10H22/c1-8(2)6-10(5)7-9(3)4;1-9(2)7-5-6-8-10(3)4/h8-10H,6-7H2,1-5H3;9-10H,5-8H2,1-4H3
InChIKeySMOHKWACOBPTGK-UHFFFAOYSA-N
MW284.57 g/mol
LogP7.57
Rot. Bonds9

About 2,7-dimethyloctane;2,4,6-trimethylheptane

2,7-dimethyloctane;2,4,6-trimethylheptane (PubChem CID 160877277) has the molecular formula C20H44 and a molecular weight of 284.57 g/mol. Its IUPAC name is 2,7-dimethyloctane;2,4,6-trimethylheptane.

Molecular Properties

Compound Name2,7-dimethyloctane;2,4,6-trimethylheptane
PubChem CID160877277
Molecular FormulaC20H44
Molecular Weight284.57 g/mol
Exact Mass284.34
IUPAC Name2,7-dimethyloctane;2,4,6-trimethylheptane
SMILESCC(C)CC(C)CC(C)C.CC(C)CCCCC(C)C
InChIInChI=1S/2C10H22/c1-8(2)6-10(5)7-9(3)4;1-9(2)7-5-6-8-10(3)4/h8-10H,6-7H2,1-5H3;9-10H,5-8H2,1-4H3
InChIKeySMOHKWACOBPTGK-UHFFFAOYSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.57
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4,10,15,19,23-hexamethyltetracosane
CID 71327414
2,4,6,8,10,12,14,16,18,20-decamethylhenicosane
CID 123384520
(4R,8R)-2,4,6,8,10-pentamethylundecane
CID 134836322
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
propane;2,4,6-trimethylheptane
CID 165013878
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
acetylene;2,4,6-trimethylheptane
CID 144531255
(4S,6S,8S)-2,4,6,8-tetramethyltetracosane
CID 141213214
4-bromo-2,9-dimethyldecane
CID 83161521
2,13-dimethyl-4-propan-2-yltetradecane
CID 140816601
2,4-dimethyltetradecane
CID 53423723

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyloctane;2,4,6-trimethylheptane?
The IUPAC name of 2,7-dimethyloctane;2,4,6-trimethylheptane (CID 160877277) is 2,7-dimethyloctane;2,4,6-trimethylheptane.
What is the SMILES notation for 2,7-dimethyloctane;2,4,6-trimethylheptane?
The canonical SMILES for 2,7-dimethyloctane;2,4,6-trimethylheptane is CC(C)CC(C)CC(C)C.CC(C)CCCCC(C)C.
What is the InChIKey of 2,7-dimethyloctane;2,4,6-trimethylheptane?
The InChIKey is SMOHKWACOBPTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H22/c1-8(2)6-10(5)7-9(3)4;1-9(2)7-5-6-8-10(3)4/h8-10H,6-7H2,1-5H3;9-10H,5-8H2,1-4H3.
What are the key properties of 2,7-dimethyloctane;2,4,6-trimethylheptane?
2,7-dimethyloctane;2,4,6-trimethylheptane has a molecular weight of 284.57 g/mol, XLogP of 7.57, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyloctane;2,4,6-trimethylheptane is sourced from PubChem (CID 160877277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).