2,2,7,7-tetramethyl-4-propan-2-ylnonane

C16H34 — CID 123845621

IUPAC2,2,7,7-tetramethyl-4-propan-2-ylnonane
SMILESCCC(C)(C)CCC(CC(C)(C)C)C(C)C
InChIInChI=1S/C16H34/c1-9-16(7,8)11-10-14(13(2)3)12-15(4,5)6/h13-14H,9-12H2,1-8H3
InChIKeyAONJPRVLYNMCFP-UHFFFAOYSA-N
MW226.45 g/mol
LogP5.91
Rot. Bonds6

About 2,2,7,7-tetramethyl-4-propan-2-ylnonane

2,2,7,7-tetramethyl-4-propan-2-ylnonane (PubChem CID 123845621) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 2,2,7,7-tetramethyl-4-propan-2-ylnonane.

Molecular Properties

Compound Name2,2,7,7-tetramethyl-4-propan-2-ylnonane
PubChem CID123845621
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name2,2,7,7-tetramethyl-4-propan-2-ylnonane
SMILESCCC(C)(C)CCC(CC(C)(C)C)C(C)C
InChIInChI=1S/C16H34/c1-9-16(7,8)11-10-14(13(2)3)12-15(4,5)6/h13-14H,9-12H2,1-8H3
InChIKeyAONJPRVLYNMCFP-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethyl-6,6-dimethyloctan-2-ol
CID 156689624
1,1-difluoro-4,4-dimethylhexane
CID 170227321
(2R)-4,4-dimethyl-2-propan-2-ylpentan-1-ol
CID 167343792
2,7,7-trimethylnonan-3-ol
CID 162360269
2,2,5,8,10,10-hexamethyldodecane
CID 177102228
trimethyl(2,2,5,5-tetramethylheptan-3-yl)silane
CID 91235940
5-(bromomethyl)-2,2,6-trimethylheptane
CID 66043444
6,6-dimethyloctane-3-thiol
CID 166858494
5,5-dimethyl-2-propan-2-ylhexan-1-ol
CID 66057517
2,5,5-trimethyl-N-(3-methylpentan-3-yl)heptan-1-amine
CID 91457682
N-ethyl-5,5-dimethyl-2-propan-2-ylhexan-1-amine
CID 62528162
3,3-dimethylhexane
CID 11233

Frequently Asked Questions

What is the IUPAC name of 2,2,7,7-tetramethyl-4-propan-2-ylnonane?
The IUPAC name of 2,2,7,7-tetramethyl-4-propan-2-ylnonane (CID 123845621) is 2,2,7,7-tetramethyl-4-propan-2-ylnonane.
What is the SMILES notation for 2,2,7,7-tetramethyl-4-propan-2-ylnonane?
The canonical SMILES for 2,2,7,7-tetramethyl-4-propan-2-ylnonane is CCC(C)(C)CCC(CC(C)(C)C)C(C)C.
What is the InChIKey of 2,2,7,7-tetramethyl-4-propan-2-ylnonane?
The InChIKey is AONJPRVLYNMCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-9-16(7,8)11-10-14(13(2)3)12-15(4,5)6/h13-14H,9-12H2,1-8H3.
What are the key properties of 2,2,7,7-tetramethyl-4-propan-2-ylnonane?
2,2,7,7-tetramethyl-4-propan-2-ylnonane has a molecular weight of 226.45 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7,7-tetramethyl-4-propan-2-ylnonane is sourced from PubChem (CID 123845621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).