4,4,7-trimethyl-7-propoxydec-5-yne

C16H29O- — CID 91486027

IUPAC4,4,7-trimethyl-7-propoxydec-5-yne
SMILESC[CH-]CC(C)(C#CC(C)(C)CCC)OCCC
InChIInChI=1S/C16H29O/c1-7-10-15(4,5)12-13-16(6,11-8-2)17-14-9-3/h8H,7,9-11,14H2,1-6H3/q-1
InChIKeyCZHZPMBJPBXQRI-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.62
Rot. Bonds7

About 4,4,7-trimethyl-7-propoxydec-5-yne

4,4,7-trimethyl-7-propoxydec-5-yne (PubChem CID 91486027) has the molecular formula C16H29O- and a molecular weight of 237.41 g/mol. Its IUPAC name is 4,4,7-trimethyl-7-propoxydec-5-yne.

Molecular Properties

Compound Name4,4,7-trimethyl-7-propoxydec-5-yne
PubChem CID91486027
Molecular FormulaC16H29O-
Molecular Weight237.41 g/mol
Exact Mass237.22
IUPAC Name4,4,7-trimethyl-7-propoxydec-5-yne
SMILESC[CH-]CC(C)(C#CC(C)(C)CCC)OCCC
InChIInChI=1S/C16H29O/c1-7-10-15(4,5)12-13-16(6,11-8-2)17-14-9-3/h8H,7,9-11,14H2,1-6H3/q-1
InChIKeyCZHZPMBJPBXQRI-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Ethoxy-2,4,4-trimethylpentane
CID 22274771
Propyl tert-octyl ether
CID 85815230
Butyl tert-octyl ether
CID 86174215
3,3-Dimethylbutyl tert-octyl ether
CID 91752495
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
6-Methyl-6-(2-methylhept-5-yn-2-yloxy)hept-2-yne
CID 57254875
3-Tert-butyl-2,2,4,4-tetramethyl-3-prop-2-ynoxypentane
CID 58502671
CID 60003145
CID 60003145
2-(2,2-Dimethylpropoxy)-2,4,4-trimethylpentane
CID 60040549
4-Ethoxy-2,4,7,7,9-pentamethyldec-5-yne
CID 89327199
7-Methoxy-5,5,7-trimethyloct-3-yne
CID 89861476

Frequently Asked Questions

What is the IUPAC name of 4,4,7-trimethyl-7-propoxydec-5-yne?
The IUPAC name of 4,4,7-trimethyl-7-propoxydec-5-yne (CID 91486027) is 4,4,7-trimethyl-7-propoxydec-5-yne.
What is the SMILES notation for 4,4,7-trimethyl-7-propoxydec-5-yne?
The canonical SMILES for 4,4,7-trimethyl-7-propoxydec-5-yne is C[CH-]CC(C)(C#CC(C)(C)CCC)OCCC.
What is the InChIKey of 4,4,7-trimethyl-7-propoxydec-5-yne?
The InChIKey is CZHZPMBJPBXQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29O/c1-7-10-15(4,5)12-13-16(6,11-8-2)17-14-9-3/h8H,7,9-11,14H2,1-6H3/q-1.
What are the key properties of 4,4,7-trimethyl-7-propoxydec-5-yne?
4,4,7-trimethyl-7-propoxydec-5-yne has a molecular weight of 237.41 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,7-trimethyl-7-propoxydec-5-yne is sourced from PubChem (CID 91486027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).