2,2,3,4,4,7,8-heptamethylnonane

C16H34 — CID 123795211

IUPAC2,2,3,4,4,7,8-heptamethylnonane
SMILESCC(C)C(C)CCC(C)(C)C(C)C(C)(C)C
InChIInChI=1S/C16H34/c1-12(2)13(3)10-11-16(8,9)14(4)15(5,6)7/h12-14H,10-11H2,1-9H3
InChIKeyINBCFPKCHPPCJH-UHFFFAOYSA-N
MW226.45 g/mol
LogP5.77
Rot. Bonds5

About 2,2,3,4,4,7,8-heptamethylnonane

2,2,3,4,4,7,8-heptamethylnonane (PubChem CID 123795211) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 2,2,3,4,4,7,8-heptamethylnonane.

Molecular Properties

Compound Name2,2,3,4,4,7,8-heptamethylnonane
PubChem CID123795211
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name2,2,3,4,4,7,8-heptamethylnonane
SMILESCC(C)C(C)CCC(C)(C)C(C)C(C)(C)C
InChIInChI=1S/C16H34/c1-12(2)13(3)10-11-16(8,9)14(4)15(5,6)7/h12-14H,10-11H2,1-9H3
InChIKeyINBCFPKCHPPCJH-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5R)-2,5,6-trimethylheptan-2-ol
CID 10176245
ethane;2,3,6,6,9-pentamethyldecane
CID 156735822
2,2,3,4,4,6-hexamethylheptane
CID 57491289
2-tert-butyl-2,5,6-trimethylheptanoic acid
CID 123233538
2,2-difluoro-5,6-dimethylheptane;propan-2-ylcycloheptane
CID 170598866
(3S,7R)-2,3,7,8-tetramethylnonane
CID 153439349
2,3,6,7,8-pentamethylnonan-3-ol
CID 20659783
6-ethyl-2,3,7,7-tetramethylundecane
CID 123852227
3,3,6,7,8-pentamethylnon-1-ene
CID 123898570
2,2,3,4-tetramethylhexane
CID 91324153
1,1,1-trifluoro-6,7-dimethyloctane
CID 162600398
2,3,5,5,6,7-hexamethylnonane
CID 91311352

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,4,7,8-heptamethylnonane?
The IUPAC name of 2,2,3,4,4,7,8-heptamethylnonane (CID 123795211) is 2,2,3,4,4,7,8-heptamethylnonane.
What is the SMILES notation for 2,2,3,4,4,7,8-heptamethylnonane?
The canonical SMILES for 2,2,3,4,4,7,8-heptamethylnonane is CC(C)C(C)CCC(C)(C)C(C)C(C)(C)C.
What is the InChIKey of 2,2,3,4,4,7,8-heptamethylnonane?
The InChIKey is INBCFPKCHPPCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-12(2)13(3)10-11-16(8,9)14(4)15(5,6)7/h12-14H,10-11H2,1-9H3.
What are the key properties of 2,2,3,4,4,7,8-heptamethylnonane?
2,2,3,4,4,7,8-heptamethylnonane has a molecular weight of 226.45 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,4,7,8-heptamethylnonane is sourced from PubChem (CID 123795211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).