methane;2,2,6-trimethyl-5-propan-2-ylheptane

C14H32 — CID 160668864

IUPACmethane;2,2,6-trimethyl-5-propan-2-ylheptane
SMILESC.CC(C)C(CCC(C)(C)C)C(C)C
InChIInChI=1S/C13H28.CH4/c1-10(2)12(11(3)4)8-9-13(5,6)7;/h10-12H,8-9H2,1-7H3;1H4
InChIKeyRMQYUSASKYQOKW-UHFFFAOYSA-N
MW200.41 g/mol
LogP5.38
Rot. Bonds4

About methane;2,2,6-trimethyl-5-propan-2-ylheptane

methane;2,2,6-trimethyl-5-propan-2-ylheptane (PubChem CID 160668864) has the molecular formula C14H32 and a molecular weight of 200.41 g/mol. Its IUPAC name is methane;2,2,6-trimethyl-5-propan-2-ylheptane.

Molecular Properties

Compound Namemethane;2,2,6-trimethyl-5-propan-2-ylheptane
PubChem CID160668864
Molecular FormulaC14H32
Molecular Weight200.41 g/mol
Exact Mass200.25
IUPAC Namemethane;2,2,6-trimethyl-5-propan-2-ylheptane
SMILESC.CC(C)C(CCC(C)(C)C)C(C)C
InChIInChI=1S/C13H28.CH4/c1-10(2)12(11(3)4)8-9-13(5,6)7;/h10-12H,8-9H2,1-7H3;1H4
InChIKeyRMQYUSASKYQOKW-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.41
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;2,2,5,9,13-pentamethyltetradecane
CID 159071940
2,6,6-trimethylheptan-3-ol
CID 20577986
2,2,3,7,7-pentamethyloctan-4-ol
CID 156689704
5-(bromomethyl)-2,2,6-trimethylheptane
CID 66043444
5,5-dimethyl-2-propan-2-ylhexan-1-ol
CID 66057517
5-(2,2-dimethylpropyl)-2,2,8,8-tetramethylnonane;methane
CID 160846124
N-(2,2-dimethylpropyl)-N,5,5-trimethylhexan-2-amine
CID 156542499
2,5,5-trimethylhexan-1-ol
CID 3020914
2,2-dimethyl-5-methylsulfanylhexane
CID 58033907
2,2,8,8-tetramethylnonan-5-ol
CID 19931306
1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane
CID 158785130
2,2,3,8,8-pentamethylnonane
CID 57491849

Frequently Asked Questions

What is the IUPAC name of methane;2,2,6-trimethyl-5-propan-2-ylheptane?
The IUPAC name of methane;2,2,6-trimethyl-5-propan-2-ylheptane (CID 160668864) is methane;2,2,6-trimethyl-5-propan-2-ylheptane.
What is the SMILES notation for methane;2,2,6-trimethyl-5-propan-2-ylheptane?
The canonical SMILES for methane;2,2,6-trimethyl-5-propan-2-ylheptane is C.CC(C)C(CCC(C)(C)C)C(C)C.
What is the InChIKey of methane;2,2,6-trimethyl-5-propan-2-ylheptane?
The InChIKey is RMQYUSASKYQOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28.CH4/c1-10(2)12(11(3)4)8-9-13(5,6)7;/h10-12H,8-9H2,1-7H3;1H4.
What are the key properties of methane;2,2,6-trimethyl-5-propan-2-ylheptane?
methane;2,2,6-trimethyl-5-propan-2-ylheptane has a molecular weight of 200.41 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2,2,6-trimethyl-5-propan-2-ylheptane is sourced from PubChem (CID 160668864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).