2-methyl-4-(2-methylheptan-4-yloxy)heptane

C16H34O — CID 22758032

IUPAC2-methyl-4-(2-methylheptan-4-yloxy)heptane
SMILESCCCC(CC(C)C)OC(CCC)CC(C)C
InChIInChI=1S/C16H34O/c1-7-9-15(11-13(3)4)17-16(10-8-2)12-14(5)6/h13-16H,7-12H2,1-6H3
InChIKeyHESJWXZTNNCBKI-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.43
Rot. Bonds10

About 2-methyl-4-(2-methylheptan-4-yloxy)heptane

2-methyl-4-(2-methylheptan-4-yloxy)heptane (PubChem CID 22758032) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 2-methyl-4-(2-methylheptan-4-yloxy)heptane.

Molecular Properties

Compound Name2-methyl-4-(2-methylheptan-4-yloxy)heptane
PubChem CID22758032
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name2-methyl-4-(2-methylheptan-4-yloxy)heptane
SMILESCCCC(CC(C)C)OC(CCC)CC(C)C
InChIInChI=1S/C16H34O/c1-7-9-15(11-13(3)4)17-16(10-8-2)12-14(5)6/h13-16H,7-12H2,1-6H3
InChIKeyHESJWXZTNNCBKI-UHFFFAOYSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane
CID 18359494
2-heptan-4-yloxypropan-1-amine
CID 88964936
(2R,4R)-4-heptan-4-yloxypentan-2-ol
CID 134978690
4-icosan-4-yloxyicosane
CID 87313284
3-hexan-3-yloxyhexane;trimethoxysilane
CID 175116578
3-(1-methoxyethoxy)hexane
CID 145051636
2-methylpentane
CID 7892
4-(2-hydroxynonan-4-yloxy)nonan-2-ol
CID 70302296
4-methoxy-2-methyltridecane
CID 150137637
4-hexadecan-5-yloxyhexadecane
CID 57069400
2,4,6,8,10-pentamethyltridecane
CID 20715673
2,4,6,8,10,12,14-heptamethylheptadecane
CID 91613417

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylheptan-4-yloxy)heptane?
The IUPAC name of 2-methyl-4-(2-methylheptan-4-yloxy)heptane (CID 22758032) is 2-methyl-4-(2-methylheptan-4-yloxy)heptane.
What is the SMILES notation for 2-methyl-4-(2-methylheptan-4-yloxy)heptane?
The canonical SMILES for 2-methyl-4-(2-methylheptan-4-yloxy)heptane is CCCC(CC(C)C)OC(CCC)CC(C)C.
What is the InChIKey of 2-methyl-4-(2-methylheptan-4-yloxy)heptane?
The InChIKey is HESJWXZTNNCBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-7-9-15(11-13(3)4)17-16(10-8-2)12-14(5)6/h13-16H,7-12H2,1-6H3.
What are the key properties of 2-methyl-4-(2-methylheptan-4-yloxy)heptane?
2-methyl-4-(2-methylheptan-4-yloxy)heptane has a molecular weight of 242.45 g/mol, XLogP of 5.43, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylheptan-4-yloxy)heptane is sourced from PubChem (CID 22758032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).