2,4,4,6-tetramethyl-5-propyloctane

C15H32 — CID 123721040

IUPAC2,4,4,6-tetramethyl-5-propyloctane
SMILESCCCC(C(C)CC)C(C)(C)CC(C)C
InChIInChI=1S/C15H32/c1-8-10-14(13(5)9-2)15(6,7)11-12(3)4/h12-14H,8-11H2,1-7H3
InChIKeyQSGMYXNDJISUFO-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.52
Rot. Bonds7

About 2,4,4,6-tetramethyl-5-propyloctane

2,4,4,6-tetramethyl-5-propyloctane (PubChem CID 123721040) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 2,4,4,6-tetramethyl-5-propyloctane.

Molecular Properties

Compound Name2,4,4,6-tetramethyl-5-propyloctane
PubChem CID123721040
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name2,4,4,6-tetramethyl-5-propyloctane
SMILESCCCC(C(C)CC)C(C)(C)CC(C)C
InChIInChI=1S/C15H32/c1-8-10-14(13(5)9-2)15(6,7)11-12(3)4/h12-14H,8-11H2,1-7H3
InChIKeyQSGMYXNDJISUFO-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4,4,5,6-pentamethyloctane
CID 57491109
2,4,6-trimethyl-4-propan-2-ylnonane
CID 90931226
3-ethyl-2,2,4-trimethylheptane
CID 22354769
O-(3,3,5-trimethylhexan-2-yl)hydroxylamine
CID 59956878
(3R)-3,4-dimethylheptane
CID 59819300
3-methyl-2-propylpentanoic acid
CID 54305821
(3-butan-2-yl-2-methylheptan-2-yl)oxysilane
CID 174476701
(4S,6S)-2,4,6-trimethylnonane-4-thiol
CID 92951034
2,4-dimethylheptan-4-olate
CID 58624964
bis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane)
CID 160533172
(4S)-2,4-dimethyl-4-propan-2-ylheptane
CID 58432708
2,4,4,6-tetramethyl-3-propan-2-ylheptane
CID 57492978

Frequently Asked Questions

What is the IUPAC name of 2,4,4,6-tetramethyl-5-propyloctane?
The IUPAC name of 2,4,4,6-tetramethyl-5-propyloctane (CID 123721040) is 2,4,4,6-tetramethyl-5-propyloctane.
What is the SMILES notation for 2,4,4,6-tetramethyl-5-propyloctane?
The canonical SMILES for 2,4,4,6-tetramethyl-5-propyloctane is CCCC(C(C)CC)C(C)(C)CC(C)C.
What is the InChIKey of 2,4,4,6-tetramethyl-5-propyloctane?
The InChIKey is QSGMYXNDJISUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-8-10-14(13(5)9-2)15(6,7)11-12(3)4/h12-14H,8-11H2,1-7H3.
What are the key properties of 2,4,4,6-tetramethyl-5-propyloctane?
2,4,4,6-tetramethyl-5-propyloctane has a molecular weight of 212.42 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,6-tetramethyl-5-propyloctane is sourced from PubChem (CID 123721040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).