(3S,7R)-2,3,7,8-tetramethylnonane

C13H28 — CID 153439349

IUPAC(3S,7R)-2,3,7,8-tetramethylnonane
SMILESCC(C)[C@H](C)CCC[C@H](C)C(C)C
InChIInChI=1S/C13H28/c1-10(2)12(5)8-7-9-13(6)11(3)4/h10-13H,7-9H2,1-6H3/t12-,13+
InChIKeyQNIPWTWBIDELLN-BETUJISGSA-N
MW184.37 g/mol
LogP4.74
Rot. Bonds6

About (3S,7R)-2,3,7,8-tetramethylnonane

(3S,7R)-2,3,7,8-tetramethylnonane (PubChem CID 153439349) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is (3S,7R)-2,3,7,8-tetramethylnonane.

Molecular Properties

Compound Name(3S,7R)-2,3,7,8-tetramethylnonane
PubChem CID153439349
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name(3S,7R)-2,3,7,8-tetramethylnonane
SMILESCC(C)[C@H](C)CCC[C@H](C)C(C)C
InChIInChI=1S/C13H28/c1-10(2)12(5)8-7-9-13(6)11(3)4/h10-13H,7-9H2,1-6H3/t12-,13+
InChIKeyQNIPWTWBIDELLN-BETUJISGSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.37
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2,3-dimethylheptane;ethane
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2,3,14,15-tetramethylhenicosane
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7,8-dimethylnonan-1-ol
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10,11-dimethyldodecan-1-ol
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(3S)-2,3-dimethylnonane;methane
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2,3,9-trimethylundecane
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Frequently Asked Questions

What is the IUPAC name of (3S,7R)-2,3,7,8-tetramethylnonane?
The IUPAC name of (3S,7R)-2,3,7,8-tetramethylnonane (CID 153439349) is (3S,7R)-2,3,7,8-tetramethylnonane.
What is the SMILES notation for (3S,7R)-2,3,7,8-tetramethylnonane?
The canonical SMILES for (3S,7R)-2,3,7,8-tetramethylnonane is CC(C)[C@H](C)CCC[C@H](C)C(C)C.
What is the InChIKey of (3S,7R)-2,3,7,8-tetramethylnonane?
The InChIKey is QNIPWTWBIDELLN-BETUJISGSA-N. The full InChI is InChI=1S/C13H28/c1-10(2)12(5)8-7-9-13(6)11(3)4/h10-13H,7-9H2,1-6H3/t12-,13+.
What are the key properties of (3S,7R)-2,3,7,8-tetramethylnonane?
(3S,7R)-2,3,7,8-tetramethylnonane has a molecular weight of 184.37 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7R)-2,3,7,8-tetramethylnonane is sourced from PubChem (CID 153439349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).