4,7-dimethoxy-2,4,7,9-tetramethyldec-5-yne

C16H30O2 — CID 18739321

IUPAC4,7-dimethoxy-2,4,7,9-tetramethyldec-5-yne
SMILESCOC(C)(C#CC(C)(CC(C)C)OC)CC(C)C
InChIInChI=1S/C16H30O2/c1-13(2)11-15(5,17-7)9-10-16(6,18-8)12-14(3)4/h13-14H,11-12H2,1-8H3
InChIKeyTVMUFKGHVHROMI-UHFFFAOYSA-N
MW254.41 g/mol
LogP3.89
Rot. Bonds6

About 4,7-dimethoxy-2,4,7,9-tetramethyldec-5-yne

4,7-dimethoxy-2,4,7,9-tetramethyldec-5-yne (PubChem CID 18739321) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 4,7-dimethoxy-2,4,7,9-tetramethyldec-5-yne.

Molecular Properties

Compound Name4,7-dimethoxy-2,4,7,9-tetramethyldec-5-yne
PubChem CID18739321
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name4,7-dimethoxy-2,4,7,9-tetramethyldec-5-yne
SMILESCOC(C)(C#CC(C)(CC(C)C)OC)CC(C)C
InChIInChI=1S/C16H30O2/c1-13(2)11-15(5,17-7)9-10-16(6,18-8)12-14(3)4/h13-14H,11-12H2,1-8H3
InChIKeyTVMUFKGHVHROMI-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,8-Diethoxy-2,5,8,11-tetramethyldodec-6-yne
CID 134813569
3-Methoxy-3,5-dimethylhex-1-yne
CID 15215558
2,4,7,9-Tetramethyl-4,7-bis(pent-3-ynoxy)dec-5-yne
CID 20596750
4,7-Diethoxy-2,4,7,9-tetramethyldec-5-yne
CID 20679703
1-Methoxy-3,5-dimethylhex-1-yn-3-ol
CID 21706436
6-Methyl-6-(2-methylhept-5-yn-2-yloxy)hept-2-yne
CID 57254875
CID 57710647
CID 57710647
CID 59975572
CID 59975572
CID 60003145
CID 60003145
5,8-Dimethoxy-5,8-dimethyldodec-6-yne
CID 89177340
8-Methoxy-2,5,8-trimethyldodec-6-yn-5-ol
CID 140549645
Methane;2,4,7,9-tetramethyl-4,7-bis(pent-3-ynoxy)dec-5-yne
CID 158246818

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-2,4,7,9-tetramethyldec-5-yne?
The IUPAC name of 4,7-dimethoxy-2,4,7,9-tetramethyldec-5-yne (CID 18739321) is 4,7-dimethoxy-2,4,7,9-tetramethyldec-5-yne.
What is the SMILES notation for 4,7-dimethoxy-2,4,7,9-tetramethyldec-5-yne?
The canonical SMILES for 4,7-dimethoxy-2,4,7,9-tetramethyldec-5-yne is COC(C)(C#CC(C)(CC(C)C)OC)CC(C)C.
What is the InChIKey of 4,7-dimethoxy-2,4,7,9-tetramethyldec-5-yne?
The InChIKey is TVMUFKGHVHROMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-13(2)11-15(5,17-7)9-10-16(6,18-8)12-14(3)4/h13-14H,11-12H2,1-8H3.
What are the key properties of 4,7-dimethoxy-2,4,7,9-tetramethyldec-5-yne?
4,7-dimethoxy-2,4,7,9-tetramethyldec-5-yne has a molecular weight of 254.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-2,4,7,9-tetramethyldec-5-yne is sourced from PubChem (CID 18739321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).