2,2-dimethyl-5-propan-2-yloctane;methane;2,2,5-trimethylheptane;2,2,5-trimethylnonane

C38H88 — CID 158588329

IUPAC2,2-dimethyl-5-propan-2-yloctane;methane;2,2,5-trimethylheptane;2,2,5-trimethylnonane
SMILESC.C.C.CCC(C)CCC(C)(C)C.CCCC(CCC(C)(C)C)C(C)C.CCCCC(C)CCC(C)(C)C
InChIInChI=1S/C13H28.C12H26.C10H22.3CH4/c1-7-8-12(11(2)3)9-10-13(4,5)6;1-6-7-8-11(2)9-10-12(3,4)5;1-6-9(2)7-8-10(3,4)5;;;/h11-12H,7-10H2,1-6H3;11H,6-10H2,1-5H3;9H,6-8H2,1-5H3;3*1H4
InChIKeyHUCQMOLRMOFMJF-UHFFFAOYSA-N
MW545.12 g/mol
LogP15.29
Rot. Bonds13

About 2,2-dimethyl-5-propan-2-yloctane;methane;2,2,5-trimethylheptane;2,2,5-trimethylnonane

2,2-dimethyl-5-propan-2-yloctane;methane;2,2,5-trimethylheptane;2,2,5-trimethylnonane (PubChem CID 158588329) has the molecular formula C38H88 and a molecular weight of 545.12 g/mol. Its IUPAC name is 2,2-dimethyl-5-propan-2-yloctane;methane;2,2,5-trimethylheptane;2,2,5-trimethylnonane.

Molecular Properties

Compound Name2,2-dimethyl-5-propan-2-yloctane;methane;2,2,5-trimethylheptane;2,2,5-trimethylnonane
PubChem CID158588329
Molecular FormulaC38H88
Molecular Weight545.12 g/mol
Exact Mass544.69
IUPAC Name2,2-dimethyl-5-propan-2-yloctane;methane;2,2,5-trimethylheptane;2,2,5-trimethylnonane
SMILESC.C.C.CCC(C)CCC(C)(C)C.CCCC(CCC(C)(C)C)C(C)C.CCCCC(C)CCC(C)(C)C
InChIInChI=1S/C13H28.C12H26.C10H22.3CH4/c1-7-8-12(11(2)3)9-10-13(4,5)6;1-6-7-8-11(2)9-10-12(3,4)5;1-6-9(2)7-8-10(3,4)5;;;/h11-12H,7-10H2,1-6H3;11H,6-10H2,1-5H3;9H,6-8H2,1-5H3;3*1H4
InChIKeyHUCQMOLRMOFMJF-UHFFFAOYSA-N
XLogP15.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.12
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2,5-trimethyl-11-propan-2-ylpentadecane
CID 123879989
2,2,5-trimethyldodecane
CID 54169953
2,2,7-trimethylundecane
CID 57491501
2,2,6-trimethyloctane
CID 522006
(3R,6S)-3,6-dimethyldecane
CID 170848353
calcium;hydride;3-methylheptane
CID 174879723
3,11-dimethylpentadecane
CID 58340720
3-methylheptane;nickel
CID 158967838
methane;2,2,5,9,13-pentamethyltetradecane
CID 159071940
2,2,13-trimethylpentadecane
CID 150334228
3-methylheptane;2-methylpentane
CID 165405793
3-methylheptane;octane
CID 144782281

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-propan-2-yloctane;methane;2,2,5-trimethylheptane;2,2,5-trimethylnonane?
The IUPAC name of 2,2-dimethyl-5-propan-2-yloctane;methane;2,2,5-trimethylheptane;2,2,5-trimethylnonane (CID 158588329) is 2,2-dimethyl-5-propan-2-yloctane;methane;2,2,5-trimethylheptane;2,2,5-trimethylnonane.
What is the SMILES notation for 2,2-dimethyl-5-propan-2-yloctane;methane;2,2,5-trimethylheptane;2,2,5-trimethylnonane?
The canonical SMILES for 2,2-dimethyl-5-propan-2-yloctane;methane;2,2,5-trimethylheptane;2,2,5-trimethylnonane is C.C.C.CCC(C)CCC(C)(C)C.CCCC(CCC(C)(C)C)C(C)C.CCCCC(C)CCC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-5-propan-2-yloctane;methane;2,2,5-trimethylheptane;2,2,5-trimethylnonane?
The InChIKey is HUCQMOLRMOFMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28.C12H26.C10H22.3CH4/c1-7-8-12(11(2)3)9-10-13(4,5)6;1-6-7-8-11(2)9-10-12(3,4)5;1-6-9(2)7-8-10(3,4)5;;;/h11-12H,7-10H2,1-6H3;11H,6-10H2,1-5H3;9H,6-8H2,1-5H3;3*1H4.
What are the key properties of 2,2-dimethyl-5-propan-2-yloctane;methane;2,2,5-trimethylheptane;2,2,5-trimethylnonane?
2,2-dimethyl-5-propan-2-yloctane;methane;2,2,5-trimethylheptane;2,2,5-trimethylnonane has a molecular weight of 545.12 g/mol, XLogP of 15.29, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-propan-2-yloctane;methane;2,2,5-trimethylheptane;2,2,5-trimethylnonane is sourced from PubChem (CID 158588329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).