(Z)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne

C14H24O3 — CID 102151055

IUPAC(Z)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne
SMILESCC#CCC(C/C=C\COC)(COC)COC
InChIInChI=1S/C14H24O3/c1-5-6-9-14(12-16-3,13-17-4)10-7-8-11-15-2/h7-8H,9-13H2,1-4H3/b8-7-
InChIKeyRZUILXVNKJCFGD-FPLPWBNLSA-N
MW240.34 g/mol
LogP2.27
Rot. Bonds9

About (Z)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne

(Z)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne (PubChem CID 102151055) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (Z)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne.

Molecular Properties

Compound Name(Z)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne
PubChem CID102151055
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(Z)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne
SMILESCC#CCC(C/C=C\COC)(COC)COC
InChIInChI=1S/C14H24O3/c1-5-6-9-14(12-16-3,13-17-4)10-7-8-11-15-2/h7-8H,9-13H2,1-4H3/b8-7-
InChIKeyRZUILXVNKJCFGD-FPLPWBNLSA-N
XLogP2.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
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 (Z)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne?
The IUPAC name of (Z)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne (CID 102151055) is (Z)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne.
What is the SMILES notation for (Z)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne?
The canonical SMILES for (Z)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne is CC#CCC(C/C=C\COC)(COC)COC.
What is the InChIKey of (Z)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne?
The InChIKey is RZUILXVNKJCFGD-FPLPWBNLSA-N. The full InChI is InChI=1S/C14H24O3/c1-5-6-9-14(12-16-3,13-17-4)10-7-8-11-15-2/h7-8H,9-13H2,1-4H3/b8-7-.
What are the key properties of (Z)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne?
(Z)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne has a molecular weight of 240.34 g/mol, XLogP of 2.27, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne is sourced from PubChem (CID 102151055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).