3-methyl-2-(3-methylheptan-2-yloxy)heptane

C16H34O — CID 22151664

IUPAC3-methyl-2-(3-methylheptan-2-yloxy)heptane
SMILESCCCCC(C)C(C)OC(C)C(C)CCCC
InChIInChI=1S/C16H34O/c1-7-9-11-13(3)15(5)17-16(6)14(4)12-10-8-2/h13-16H,7-12H2,1-6H3
InChIKeyYRZGQDPAJBFGLJ-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.43
Rot. Bonds10

About 3-methyl-2-(3-methylheptan-2-yloxy)heptane

3-methyl-2-(3-methylheptan-2-yloxy)heptane (PubChem CID 22151664) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 3-methyl-2-(3-methylheptan-2-yloxy)heptane.

Molecular Properties

Compound Name3-methyl-2-(3-methylheptan-2-yloxy)heptane
PubChem CID22151664
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name3-methyl-2-(3-methylheptan-2-yloxy)heptane
SMILESCCCCC(C)C(C)OC(C)C(C)CCCC
InChIInChI=1S/C16H34O/c1-7-9-11-13(3)15(5)17-16(6)14(4)12-10-8-2/h13-16H,7-12H2,1-6H3
InChIKeyYRZGQDPAJBFGLJ-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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylheptan-2-yloxy)heptane?
The IUPAC name of 3-methyl-2-(3-methylheptan-2-yloxy)heptane (CID 22151664) is 3-methyl-2-(3-methylheptan-2-yloxy)heptane.
What is the SMILES notation for 3-methyl-2-(3-methylheptan-2-yloxy)heptane?
The canonical SMILES for 3-methyl-2-(3-methylheptan-2-yloxy)heptane is CCCCC(C)C(C)OC(C)C(C)CCCC.
What is the InChIKey of 3-methyl-2-(3-methylheptan-2-yloxy)heptane?
The InChIKey is YRZGQDPAJBFGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-7-9-11-13(3)15(5)17-16(6)14(4)12-10-8-2/h13-16H,7-12H2,1-6H3.
What are the key properties of 3-methyl-2-(3-methylheptan-2-yloxy)heptane?
3-methyl-2-(3-methylheptan-2-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 3-methyl-2-(3-methylheptan-2-yloxy)heptane is sourced from PubChem (CID 22151664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).