(Z)-1,2-diethoxy-1-(methoxymethoxy)undec-1-ene

C17H34O4 — CID 166757534

IUPAC(Z)-1,2-diethoxy-1-(methoxymethoxy)undec-1-ene
SMILESCCCCCCCCC/C(OCC)=C(\OCC)OCOC
InChIInChI=1S/C17H34O4/c1-5-8-9-10-11-12-13-14-16(19-6-2)17(20-7-3)21-15-18-4/h5-15H2,1-4H3/b17-16-
InChIKeyTWTCWNOSHVMPAI-MSUUIHNZSA-N
MW302.46 g/mol
LogP4.99
Rot. Bonds15

About (Z)-1,2-diethoxy-1-(methoxymethoxy)undec-1-ene

(Z)-1,2-diethoxy-1-(methoxymethoxy)undec-1-ene (PubChem CID 166757534) has the molecular formula C17H34O4 and a molecular weight of 302.46 g/mol. Its IUPAC name is (Z)-1,2-diethoxy-1-(methoxymethoxy)undec-1-ene.

Molecular Properties

Compound Name(Z)-1,2-diethoxy-1-(methoxymethoxy)undec-1-ene
PubChem CID166757534
Molecular FormulaC17H34O4
Molecular Weight302.46 g/mol
Exact Mass302.25
IUPAC Name(Z)-1,2-diethoxy-1-(methoxymethoxy)undec-1-ene
SMILESCCCCCCCCC/C(OCC)=C(\OCC)OCOC
InChIInChI=1S/C17H34O4/c1-5-8-9-10-11-12-13-14-16(19-6-2)17(20-7-3)21-15-18-4/h5-15H2,1-4H3/b17-16-
InChIKeyTWTCWNOSHVMPAI-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 ≤ 500302.46
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'}

Analyze (Z)-1,2-diethoxy-1-(methoxymethoxy)undec-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-1,2-dibutoxy-1-(methoxymethoxy)dec-1-ene
CID 166757933
1-(methoxymethoxy)-1,2-dipentoxyundec-1-ene
CID 166758186
1-(methoxymethoxy)-1,2-di(nonoxy)dodec-1-ene
CID 166757481
1,2-dibutoxy-1-(methoxymethoxy)oct-1-ene
CID 166758083
(Z)-1,2-dibutoxy-1-(methoxymethoxy)oct-1-ene
CID 166758082
(Z)-1,2-diethoxy-1-(hexoxymethoxy)hept-1-ene
CID 166757303
1-[1-(methoxymethoxy)-1-octoxyhex-1-en-2-yl]oxyoctane
CID 166758231
1-[1-decoxy-1-(methoxymethoxy)hex-1-en-2-yl]oxydecane
CID 166757652
(Z)-1,2-dimethoxy-1-(methoxymethoxy)tridec-1-ene
CID 166758033
1-(methoxymethoxy)-1,2-dipentoxypent-1-ene
CID 166757454
1-(heptoxymethoxy)-1,2-dipentoxyhept-1-ene
CID 166757816
1-(2,3-diethoxyundec-2-enoxymethoxymethoxy)-2,3-diethoxyundec-2-ene
CID 175171345

Frequently Asked Questions

What is the IUPAC name of (Z)-1,2-diethoxy-1-(methoxymethoxy)undec-1-ene?
The IUPAC name of (Z)-1,2-diethoxy-1-(methoxymethoxy)undec-1-ene (CID 166757534) is (Z)-1,2-diethoxy-1-(methoxymethoxy)undec-1-ene.
What is the SMILES notation for (Z)-1,2-diethoxy-1-(methoxymethoxy)undec-1-ene?
The canonical SMILES for (Z)-1,2-diethoxy-1-(methoxymethoxy)undec-1-ene is CCCCCCCCC/C(OCC)=C(\OCC)OCOC.
What is the InChIKey of (Z)-1,2-diethoxy-1-(methoxymethoxy)undec-1-ene?
The InChIKey is TWTCWNOSHVMPAI-MSUUIHNZSA-N. The full InChI is InChI=1S/C17H34O4/c1-5-8-9-10-11-12-13-14-16(19-6-2)17(20-7-3)21-15-18-4/h5-15H2,1-4H3/b17-16-.
What are the key properties of (Z)-1,2-diethoxy-1-(methoxymethoxy)undec-1-ene?
(Z)-1,2-diethoxy-1-(methoxymethoxy)undec-1-ene has a molecular weight of 302.46 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 (Z)-1,2-diethoxy-1-(methoxymethoxy)undec-1-ene is sourced from PubChem (CID 166757534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).