ethane;2,2,4,6,6-pentamethylheptane

C16H38 — CID 142211592

IUPACethane;2,2,4,6,6-pentamethylheptane
SMILESCC.CC.CC(CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C12H26.2C2H6/c1-10(8-11(2,3)4)9-12(5,6)7;2*1-2/h10H,8-9H2,1-7H3;2*1-2H3
InChIKeyWEQBLLWJGMJLLJ-UHFFFAOYSA-N
MW230.48 g/mol
LogP6.55
Rot. Bonds2

About ethane;2,2,4,6,6-pentamethylheptane

ethane;2,2,4,6,6-pentamethylheptane (PubChem CID 142211592) has the molecular formula C16H38 and a molecular weight of 230.48 g/mol. Its IUPAC name is ethane;2,2,4,6,6-pentamethylheptane.

Molecular Properties

Compound Nameethane;2,2,4,6,6-pentamethylheptane
PubChem CID142211592
Molecular FormulaC16H38
Molecular Weight230.48 g/mol
Exact Mass230.30
IUPAC Nameethane;2,2,4,6,6-pentamethylheptane
SMILESCC.CC.CC(CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C12H26.2C2H6/c1-10(8-11(2,3)4)9-12(5,6)7;2*1-2/h10H,8-9H2,1-7H3;2*1-2H3
InChIKeyWEQBLLWJGMJLLJ-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.48
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Aluminum, hydrobis(2,4,4-trimethylpentyl)-
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(4S)-2,4,6,6-tetramethylheptan-2-amine
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CID 54023173
methane;2,2,4-trimethylhexane
CID 159659116
azane;2,2,4-trimethylhexane
CID 87634842
CID 102521820
CID 102521820
bis(2,4,4-trimethylpentyl)phosphane
CID 19428770
lithium 2,2,4-trimethylhexane
CID 19358976
propane;2,4,4-trimethylpentylphosphane
CID 174469111
1,1-dichloro-3,5,5-trimethylhexane
CID 91082189
2,4,4-trimethylpentoxyphosphane
CID 140992070
(4R)-2,2,4,8-tetramethylnonane
CID 140612986

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,4,6,6-pentamethylheptane?
The IUPAC name of ethane;2,2,4,6,6-pentamethylheptane (CID 142211592) is ethane;2,2,4,6,6-pentamethylheptane.
What is the SMILES notation for ethane;2,2,4,6,6-pentamethylheptane?
The canonical SMILES for ethane;2,2,4,6,6-pentamethylheptane is CC.CC.CC(CC(C)(C)C)CC(C)(C)C.
What is the InChIKey of ethane;2,2,4,6,6-pentamethylheptane?
The InChIKey is WEQBLLWJGMJLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.2C2H6/c1-10(8-11(2,3)4)9-12(5,6)7;2*1-2/h10H,8-9H2,1-7H3;2*1-2H3.
What are the key properties of ethane;2,2,4,6,6-pentamethylheptane?
ethane;2,2,4,6,6-pentamethylheptane has a molecular weight of 230.48 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,4,6,6-pentamethylheptane is sourced from PubChem (CID 142211592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).