1-[[(Z)-1,2-dimethoxypent-1-enoxy]methoxy]nonane

C17H34O4 — CID 166757236

IUPAC1-[[(Z)-1,2-dimethoxypent-1-enoxy]methoxy]nonane
SMILESCCCCCCCCCOCO/C(OC)=C(/CCC)OC
InChIInChI=1S/C17H34O4/c1-5-7-8-9-10-11-12-14-20-15-21-17(19-4)16(18-3)13-6-2/h5-15H2,1-4H3/b17-16-
InChIKeyZUBXKJBYNZNTCS-MSUUIHNZSA-N
MW302.45 g/mol
LogP4.99
Rot. Bonds15

About 1-[[(Z)-1,2-dimethoxypent-1-enoxy]methoxy]nonane

1-[[(Z)-1,2-dimethoxypent-1-enoxy]methoxy]nonane (PubChem CID 166757236) has the molecular formula C17H34O4 and a molecular weight of 302.45 g/mol. Its IUPAC name is 1-[[(Z)-1,2-dimethoxypent-1-enoxy]methoxy]nonane.

Molecular Properties

Compound Name1-[[(Z)-1,2-dimethoxypent-1-enoxy]methoxy]nonane
PubChem CID166757236
Molecular FormulaC17H34O4
Molecular Weight302.45 g/mol
Exact Mass302.25
IUPAC Name1-[[(Z)-1,2-dimethoxypent-1-enoxy]methoxy]nonane
SMILESCCCCCCCCCOCO/C(OC)=C(/CCC)OC
InChIInChI=1S/C17H34O4/c1-5-7-8-9-10-11-12-14-20-15-21-17(19-4)16(18-3)13-6-2/h5-15H2,1-4H3/b17-16-
InChIKeyZUBXKJBYNZNTCS-MSUUIHNZSA-N
XLogP4.99
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-(heptoxymethoxy)-1-nonoxypent-1-en-2-yl]oxynonane
CID 166757935
1-[[(Z)-1,2-dibutoxypent-1-enoxy]methoxy]heptane
CID 166757505
1-[[(Z)-1,2-dibutoxypent-1-enoxy]methoxy]octane
CID 166758903
(Z)-1,2-dimethoxy-1-(methoxymethoxy)tridec-1-ene
CID 166758033
1-(heptoxymethoxy)-1,2-dipentoxyhept-1-ene
CID 166757816
(Z)-1,2-diethoxy-1-(hexoxymethoxy)hept-1-ene
CID 166757303
1-[1-decoxy-1-(ethoxymethoxy)pent-1-en-2-yl]oxydecane
CID 166757252
bis(hexoxymethyl) octanedioate
CID 174461943
butanedioic acid;1-(1-methoxy-1-tetradecoxypent-1-en-2-yl)oxytetradecane
CID 175902846
1-(methoxymethoxy)-1,2-dipentoxypent-1-ene
CID 166757454
6-(hexoxymethoxy)-6-oxohexanoic acid
CID 174474614
1-(butoxymethoxy)-1,2-dipropoxyhept-1-ene
CID 166757268

Frequently Asked Questions

What is the IUPAC name of 1-[[(Z)-1,2-dimethoxypent-1-enoxy]methoxy]nonane?
The IUPAC name of 1-[[(Z)-1,2-dimethoxypent-1-enoxy]methoxy]nonane (CID 166757236) is 1-[[(Z)-1,2-dimethoxypent-1-enoxy]methoxy]nonane.
What is the SMILES notation for 1-[[(Z)-1,2-dimethoxypent-1-enoxy]methoxy]nonane?
The canonical SMILES for 1-[[(Z)-1,2-dimethoxypent-1-enoxy]methoxy]nonane is CCCCCCCCCOCO/C(OC)=C(/CCC)OC.
What is the InChIKey of 1-[[(Z)-1,2-dimethoxypent-1-enoxy]methoxy]nonane?
The InChIKey is ZUBXKJBYNZNTCS-MSUUIHNZSA-N. The full InChI is InChI=1S/C17H34O4/c1-5-7-8-9-10-11-12-14-20-15-21-17(19-4)16(18-3)13-6-2/h5-15H2,1-4H3/b17-16-.
What are the key properties of 1-[[(Z)-1,2-dimethoxypent-1-enoxy]methoxy]nonane?
1-[[(Z)-1,2-dimethoxypent-1-enoxy]methoxy]nonane has a molecular weight of 302.45 g/mol, XLogP of 4.99, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(Z)-1,2-dimethoxypent-1-enoxy]methoxy]nonane is sourced from PubChem (CID 166757236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).