(6S)-2,6,9-trimethyldec-3-yne

C13H24 — CID 159280612

IUPAC(6S)-2,6,9-trimethyldec-3-yne
SMILESCC(C)C#CC[C@@H](C)CCC(C)C
InChIInChI=1S/C13H24/c1-11(2)7-6-8-13(5)10-9-12(3)4/h11-13H,8-10H2,1-5H3/t13-/m1/s1
InChIKeyNNUMQKALQLULOR-CYBMUJFWSA-N
MW180.33 g/mol
LogP4.11
Rot. Bonds4

About (6S)-2,6,9-trimethyldec-3-yne

(6S)-2,6,9-trimethyldec-3-yne (PubChem CID 159280612) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is (6S)-2,6,9-trimethyldec-3-yne.

Molecular Properties

Compound Name(6S)-2,6,9-trimethyldec-3-yne
PubChem CID159280612
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name(6S)-2,6,9-trimethyldec-3-yne
SMILESCC(C)C#CC[C@@H](C)CCC(C)C
InChIInChI=1S/C13H24/c1-11(2)7-6-8-13(5)10-9-12(3)4/h11-13H,8-10H2,1-5H3/t13-/m1/s1
InChIKeyNNUMQKALQLULOR-CYBMUJFWSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,6,8-trimethylnon-3-yne
CID 158350500
(7R)-2,7,9-trimethyldec-3-yne
CID 159280614
N,5-dimethyl-N-[3-(4-methylpent-2-ynoxy)butyl]hexan-2-amine
CID 177134759
2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane
CID 158252913
ethane;2-methylpropane;propane;2,4,7-trimethyloctane
CID 144533739
2,5-dimethylheptane;propane
CID 145235091
2,5,9,13-tetramethyltetradecane
CID 58292409
2,5-dimethylheptane
CID 90756934
2-methyl-7-(5-methylhexoxy)hept-3-yne
CID 159032312
4,7-dimethyloctan-2-one
CID 21437689
(1S)-6-methyl-1-(methyldisulfanyl)-1-(4-methylpent-2-ynoxy)heptane
CID 159683090
N,4-dimethyl-N-(3-methylbutyl)hept-1-yn-1-amine
CID 155485839

Frequently Asked Questions

What is the IUPAC name of (6S)-2,6,9-trimethyldec-3-yne?
The IUPAC name of (6S)-2,6,9-trimethyldec-3-yne (CID 159280612) is (6S)-2,6,9-trimethyldec-3-yne.
What is the SMILES notation for (6S)-2,6,9-trimethyldec-3-yne?
The canonical SMILES for (6S)-2,6,9-trimethyldec-3-yne is CC(C)C#CC[C@@H](C)CCC(C)C.
What is the InChIKey of (6S)-2,6,9-trimethyldec-3-yne?
The InChIKey is NNUMQKALQLULOR-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H24/c1-11(2)7-6-8-13(5)10-9-12(3)4/h11-13H,8-10H2,1-5H3/t13-/m1/s1.
What are the key properties of (6S)-2,6,9-trimethyldec-3-yne?
(6S)-2,6,9-trimethyldec-3-yne has a molecular weight of 180.33 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,6,9-trimethyldec-3-yne is sourced from PubChem (CID 159280612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).