8-methoxy-4,4-bis(methoxymethyl)-2-methyloct-1-en-6-yne

C14H24O3 — CID 86231626

IUPAC8-methoxy-4,4-bis(methoxymethyl)-2-methyloct-1-en-6-yne
SMILESC=C(C)CC(CC#CCOC)(COC)COC
InChIInChI=1S/C14H24O3/c1-13(2)10-14(11-16-4,12-17-5)8-6-7-9-15-3/h1,8-12H2,2-5H3
InChIKeyLGWPYVNMWOPYOZ-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.27
Rot. Bonds8

About 8-methoxy-4,4-bis(methoxymethyl)-2-methyloct-1-en-6-yne

8-methoxy-4,4-bis(methoxymethyl)-2-methyloct-1-en-6-yne (PubChem CID 86231626) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 8-methoxy-4,4-bis(methoxymethyl)-2-methyloct-1-en-6-yne.

Molecular Properties

Compound Name8-methoxy-4,4-bis(methoxymethyl)-2-methyloct-1-en-6-yne
PubChem CID86231626
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name8-methoxy-4,4-bis(methoxymethyl)-2-methyloct-1-en-6-yne
SMILESC=C(C)CC(CC#CCOC)(COC)COC
InChIInChI=1S/C14H24O3/c1-13(2)10-14(11-16-4,12-17-5)8-6-7-9-15-3/h1,8-12H2,2-5H3
InChIKeyLGWPYVNMWOPYOZ-UHFFFAOYSA-N
XLogP2.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4,4-bis(methoxymethyl)-2-methyloct-1-en-6-yne?
The IUPAC name of 8-methoxy-4,4-bis(methoxymethyl)-2-methyloct-1-en-6-yne (CID 86231626) is 8-methoxy-4,4-bis(methoxymethyl)-2-methyloct-1-en-6-yne.
What is the SMILES notation for 8-methoxy-4,4-bis(methoxymethyl)-2-methyloct-1-en-6-yne?
The canonical SMILES for 8-methoxy-4,4-bis(methoxymethyl)-2-methyloct-1-en-6-yne is C=C(C)CC(CC#CCOC)(COC)COC.
What is the InChIKey of 8-methoxy-4,4-bis(methoxymethyl)-2-methyloct-1-en-6-yne?
The InChIKey is LGWPYVNMWOPYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-13(2)10-14(11-16-4,12-17-5)8-6-7-9-15-3/h1,8-12H2,2-5H3.
What are the key properties of 8-methoxy-4,4-bis(methoxymethyl)-2-methyloct-1-en-6-yne?
8-methoxy-4,4-bis(methoxymethyl)-2-methyloct-1-en-6-yne has a molecular weight of 240.34 g/mol, XLogP of 2.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4,4-bis(methoxymethyl)-2-methyloct-1-en-6-yne is sourced from PubChem (CID 86231626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).