6,6-bis(methoxymethyl)-2,4-dimethyldeca-2,3-dien-8-yne

C16H26O2 — CID 71367518

IUPAC6,6-bis(methoxymethyl)-2,4-dimethyldeca-2,3-dien-8-yne
SMILESCC#CCC(COC)(COC)CC(C)=C=C(C)C
InChIInChI=1S/C16H26O2/c1-7-8-9-16(12-17-5,13-18-6)11-15(4)10-14(2)3/h9,11-13H2,1-6H3
InChIKeyNNGSEMIPLXDOLE-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.58
Rot. Bonds7

About 6,6-bis(methoxymethyl)-2,4-dimethyldeca-2,3-dien-8-yne

6,6-bis(methoxymethyl)-2,4-dimethyldeca-2,3-dien-8-yne (PubChem CID 71367518) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 6,6-bis(methoxymethyl)-2,4-dimethyldeca-2,3-dien-8-yne.

Molecular Properties

Compound Name6,6-bis(methoxymethyl)-2,4-dimethyldeca-2,3-dien-8-yne
PubChem CID71367518
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name6,6-bis(methoxymethyl)-2,4-dimethyldeca-2,3-dien-8-yne
SMILESCC#CCC(COC)(COC)CC(C)=C=C(C)C
InChIInChI=1S/C16H26O2/c1-7-8-9-16(12-17-5,13-18-6)11-15(4)10-14(2)3/h9,11-13H2,1-6H3
InChIKeyNNGSEMIPLXDOLE-UHFFFAOYSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6-bis(methoxymethyl)-2,4-dimethyldeca-2,3-dien-8-yne?
The IUPAC name of 6,6-bis(methoxymethyl)-2,4-dimethyldeca-2,3-dien-8-yne (CID 71367518) is 6,6-bis(methoxymethyl)-2,4-dimethyldeca-2,3-dien-8-yne.
What is the SMILES notation for 6,6-bis(methoxymethyl)-2,4-dimethyldeca-2,3-dien-8-yne?
The canonical SMILES for 6,6-bis(methoxymethyl)-2,4-dimethyldeca-2,3-dien-8-yne is CC#CCC(COC)(COC)CC(C)=C=C(C)C.
What is the InChIKey of 6,6-bis(methoxymethyl)-2,4-dimethyldeca-2,3-dien-8-yne?
The InChIKey is NNGSEMIPLXDOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-7-8-9-16(12-17-5,13-18-6)11-15(4)10-14(2)3/h9,11-13H2,1-6H3.
What are the key properties of 6,6-bis(methoxymethyl)-2,4-dimethyldeca-2,3-dien-8-yne?
6,6-bis(methoxymethyl)-2,4-dimethyldeca-2,3-dien-8-yne has a molecular weight of 250.38 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-bis(methoxymethyl)-2,4-dimethyldeca-2,3-dien-8-yne is sourced from PubChem (CID 71367518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).