2,2,3-trimethyl-4-propyloctane

C14H30 — CID 57492614

IUPAC2,2,3-trimethyl-4-propyloctane
SMILESCCCCC(CCC)C(C)C(C)(C)C
InChIInChI=1S/C14H30/c1-7-9-11-13(10-8-2)12(3)14(4,5)6/h12-13H,7-11H2,1-6H3
InChIKeyVIYPWDXJIMCBKC-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.28
Rot. Bonds6

About 2,2,3-trimethyl-4-propyloctane

2,2,3-trimethyl-4-propyloctane (PubChem CID 57492614) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 2,2,3-trimethyl-4-propyloctane.

Molecular Properties

Compound Name2,2,3-trimethyl-4-propyloctane
PubChem CID57492614
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name2,2,3-trimethyl-4-propyloctane
SMILESCCCCC(CCC)C(C)C(C)(C)C
InChIInChI=1S/C14H30/c1-7-9-11-13(10-8-2)12(3)14(4,5)6/h12-13H,7-11H2,1-6H3
InChIKeyVIYPWDXJIMCBKC-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-(3,3-dimethylbutan-2-yl)-3,4-dimethyldecane
CID 123656705
4-propan-2-yl-5-propylnonane
CID 54297700
4,5-diethylnonane
CID 21188862
4-propan-2-yldecane
CID 15038736
6,7-dimethyl-5-propyldodecane
CID 123459990
5-(3-methylbutan-2-yl)tridecane
CID 123909892
5-ethyl-3,3,4-trimethylnonane
CID 57492068
6,7-dipropyldodecane
CID 529940
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427
4,5-dipropylnonane;5-propylnonane
CID 157465342
2-butyl-3-propylbutane-1,4-diol
CID 87266771
N-methyl-3-propylheptan-2-amine
CID 123465909

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-4-propyloctane?
The IUPAC name of 2,2,3-trimethyl-4-propyloctane (CID 57492614) is 2,2,3-trimethyl-4-propyloctane.
What is the SMILES notation for 2,2,3-trimethyl-4-propyloctane?
The canonical SMILES for 2,2,3-trimethyl-4-propyloctane is CCCCC(CCC)C(C)C(C)(C)C.
What is the InChIKey of 2,2,3-trimethyl-4-propyloctane?
The InChIKey is VIYPWDXJIMCBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-7-9-11-13(10-8-2)12(3)14(4,5)6/h12-13H,7-11H2,1-6H3.
What are the key properties of 2,2,3-trimethyl-4-propyloctane?
2,2,3-trimethyl-4-propyloctane has a molecular weight of 198.39 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-4-propyloctane is sourced from PubChem (CID 57492614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).