(7R)-2,7,9-trimethyldec-3-yne

C13H24 — CID 159280614

IUPAC(7R)-2,7,9-trimethyldec-3-yne
SMILESCC(C)C#CCC[C@@H](C)CC(C)C
InChIInChI=1S/C13H24/c1-11(2)8-6-7-9-13(5)10-12(3)4/h11-13H,7,9-10H2,1-5H3/t13-/m1/s1
InChIKeyCXOLRQVDSRGJLQ-CYBMUJFWSA-N
MW180.34 g/mol
LogP4.11
Rot. Bonds4

About (7R)-2,7,9-trimethyldec-3-yne

(7R)-2,7,9-trimethyldec-3-yne (PubChem CID 159280614) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is (7R)-2,7,9-trimethyldec-3-yne.

Molecular Properties

Compound Name(7R)-2,7,9-trimethyldec-3-yne
PubChem CID159280614
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name(7R)-2,7,9-trimethyldec-3-yne
SMILESCC(C)C#CCC[C@@H](C)CC(C)C
InChIInChI=1S/C13H24/c1-11(2)8-6-7-9-13(5)10-12(3)4/h11-13H,7,9-10H2,1-5H3/t13-/m1/s1
InChIKeyCXOLRQVDSRGJLQ-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 ≤ 500180.34
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
4,6-dimethylheptanenitrile
CID 12673955
4,9-dimethyldeca-2,7-diyne
CID 173015468
(6S)-2,6,9-trimethyldec-3-yne
CID 159280612
2,8,9-trimethyldec-3-yne
CID 159280610
ethane;2-methylpropane;propane;2,4,7-trimethyloctane
CID 144533739
6-methylhept-4-yn-1-amine
CID 21391829
2,12-dimethyltrideca-5,8-diyn-7-ol
CID 140765594
1-bromo-3,5-dimethylhexane
CID 10867183
2-methyl-7-(5-methylhexoxy)hept-3-yne
CID 159032312
2,4,6,8,10,12,14,16,18,20-decamethylhenicosane
CID 123384520
(4R,8R)-2,4,6,8,10-pentamethylundecane
CID 134836322

Frequently Asked Questions

What is the IUPAC name of (7R)-2,7,9-trimethyldec-3-yne?
The IUPAC name of (7R)-2,7,9-trimethyldec-3-yne (CID 159280614) is (7R)-2,7,9-trimethyldec-3-yne.
What is the SMILES notation for (7R)-2,7,9-trimethyldec-3-yne?
The canonical SMILES for (7R)-2,7,9-trimethyldec-3-yne is CC(C)C#CCC[C@@H](C)CC(C)C.
What is the InChIKey of (7R)-2,7,9-trimethyldec-3-yne?
The InChIKey is CXOLRQVDSRGJLQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H24/c1-11(2)8-6-7-9-13(5)10-12(3)4/h11-13H,7,9-10H2,1-5H3/t13-/m1/s1.
What are the key properties of (7R)-2,7,9-trimethyldec-3-yne?
(7R)-2,7,9-trimethyldec-3-yne has a molecular weight of 180.34 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 (7R)-2,7,9-trimethyldec-3-yne is sourced from PubChem (CID 159280614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).