(3R)-3,4-dimethylheptane

C9H20 — CID 59819300

IUPAC(3R)-3,4-dimethylheptane
SMILESCCCC(C)[C@H](C)CC
InChIInChI=1S/C9H20/c1-5-7-9(4)8(3)6-2/h8-9H,5-7H2,1-4H3/t8-,9?/m1/s1
InChIKeyMAKRYGRRIKSDES-VEDVMXKPSA-N
MW128.26 g/mol
LogP3.47
Rot. Bonds4

About (3R)-3,4-dimethylheptane

(3R)-3,4-dimethylheptane (PubChem CID 59819300) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is (3R)-3,4-dimethylheptane.

Molecular Properties

Compound Name(3R)-3,4-dimethylheptane
PubChem CID59819300
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Name(3R)-3,4-dimethylheptane
SMILESCCCC(C)[C@H](C)CC
InChIInChI=1S/C9H20/c1-5-7-9(4)8(3)6-2/h8-9H,5-7H2,1-4H3/t8-,9?/m1/s1
InChIKeyMAKRYGRRIKSDES-VEDVMXKPSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.26
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-chloro-3-methylheptane
CID 54215050
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
3,4,9-trimethyl-8-propylundecane
CID 90901381
3,4-dimethyldecane;ethane
CID 170980289
CID 91437014
CID 91437014
3,4-dimethylhexane;3-ethyl-2-methylhexane;2,3,4-trimethylheptane
CID 153382410
CID 162262014
CID 162262014
methyl-(3-methylhexan-2-yl)-(3-methylpentan-2-yl)phosphane
CID 174320605
3,4-dimethyloctane;ethane;ethene;propane
CID 142827223
3-methylheptan-4-ylphosphane
CID 178108210
(4R)-4-methylheptan-3-ol
CID 12799251
4,5,7-trimethyldecane
CID 57490926

Frequently Asked Questions

What is the IUPAC name of (3R)-3,4-dimethylheptane?
The IUPAC name of (3R)-3,4-dimethylheptane (CID 59819300) is (3R)-3,4-dimethylheptane.
What is the SMILES notation for (3R)-3,4-dimethylheptane?
The canonical SMILES for (3R)-3,4-dimethylheptane is CCCC(C)[C@H](C)CC.
What is the InChIKey of (3R)-3,4-dimethylheptane?
The InChIKey is MAKRYGRRIKSDES-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H20/c1-5-7-9(4)8(3)6-2/h8-9H,5-7H2,1-4H3/t8-,9?/m1/s1.
What are the key properties of (3R)-3,4-dimethylheptane?
(3R)-3,4-dimethylheptane has a molecular weight of 128.26 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,4-dimethylheptane is sourced from PubChem (CID 59819300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).