6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-yne

C17H28O2 — CID 24865694

IUPAC6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-yne
SMILESC#CCC(COC)(COC)CC(=C=CC)C(C)(C)C
InChIInChI=1S/C17H28O2/c1-8-10-15(16(3,4)5)12-17(11-9-2,13-18-6)14-19-7/h2,8H,11-14H2,1,3-7H3
InChIKeyIIMVVMDXOCQSDM-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.83
Rot. Bonds7

About 6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-yne

6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-yne (PubChem CID 24865694) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-yne.

Molecular Properties

Compound Name6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-yne
PubChem CID24865694
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-yne
SMILESC#CCC(COC)(COC)CC(=C=CC)C(C)(C)C
InChIInChI=1S/C17H28O2/c1-8-10-15(16(3,4)5)12-17(11-9-2,13-18-6)14-19-7/h2,8H,11-14H2,1,3-7H3
InChIKeyIIMVVMDXOCQSDM-UHFFFAOYSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.83
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-(2-Tert-butylhexa-2,3-dienyl)-2,2-dimethyl-5-prop-2-ynyl-1,3-dioxane
CID 11808424
[6-Tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-ynyl]-trimethylsilane
CID 135011635
8-Ethyl-4,4-bis(methoxymethyl)-6-methyldeca-6,7-dien-1-yne
CID 71367519
4,4-Bis(methoxymethyl)-6-methylnona-6,7-dien-1-yne
CID 102217715

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-yne?
The IUPAC name of 6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-yne (CID 24865694) is 6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-yne.
What is the SMILES notation for 6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-yne?
The canonical SMILES for 6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-yne is C#CCC(COC)(COC)CC(=C=CC)C(C)(C)C.
What is the InChIKey of 6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-yne?
The InChIKey is IIMVVMDXOCQSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-8-10-15(16(3,4)5)12-17(11-9-2,13-18-6)14-19-7/h2,8H,11-14H2,1,3-7H3.
What are the key properties of 6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-yne?
6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-yne has a molecular weight of 264.41 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4,4-bis(methoxymethyl)nona-6,7-dien-1-yne is sourced from PubChem (CID 24865694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).