(3R)-2,3-dimethylpentane

C7H16 — CID 638047

IUPAC(3R)-2,3-dimethylpentane
SMILESCC[C@@H](C)C(C)C
InChIInChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3/t7-/m1/s1
InChIKeyWGECXQBGLLYSFP-SSDOTTSWSA-N
MW100.20 g/mol
LogP2.69
Rot. Bonds2

About (3R)-2,3-dimethylpentane

(3R)-2,3-dimethylpentane (PubChem CID 638047) has the molecular formula C7H16 and a molecular weight of 100.20 g/mol. Its IUPAC name is (3R)-2,3-dimethylpentane.

Molecular Properties

Compound Name(3R)-2,3-dimethylpentane
PubChem CID638047
Molecular FormulaC7H16
Molecular Weight100.20 g/mol
Exact Mass100.13
IUPAC Name(3R)-2,3-dimethylpentane
SMILESCC[C@@H](C)C(C)C
InChIInChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3/t7-/m1/s1
InChIKeyWGECXQBGLLYSFP-SSDOTTSWSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.20
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3R)-2,3-dimethylpentane?
The IUPAC name of (3R)-2,3-dimethylpentane (CID 638047) is (3R)-2,3-dimethylpentane.
What is the SMILES notation for (3R)-2,3-dimethylpentane?
The canonical SMILES for (3R)-2,3-dimethylpentane is CC[C@@H](C)C(C)C.
What is the InChIKey of (3R)-2,3-dimethylpentane?
The InChIKey is WGECXQBGLLYSFP-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3/t7-/m1/s1.
What are the key properties of (3R)-2,3-dimethylpentane?
(3R)-2,3-dimethylpentane has a molecular weight of 100.20 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3-dimethylpentane is sourced from PubChem (CID 638047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).