1-methoxy-1-(1-methoxy-10,10-dipropoxydec-2-enoxy)-10,10-dipropoxydec-2-ene

C34H66O7 — CID 162350636

IUPAC1-methoxy-1-(1-methoxy-10,10-dipropoxydec-2-enoxy)-10,10-dipropoxydec-2-ene
SMILESCCCOC(CCCCCCC=CC(OC)OC(C=CCCCCCCC(OCCC)OCCC)OC)OCCC
InChIInChI=1S/C34H66O7/c1-7-27-37-33(38-28-8-2)25-21-17-13-11-15-19-23-31(35-5)41-32(36-6)24-20-16-12-14-18-22-26-34(39-29-9-3)40-30-10-4/h19-20,23-24,31-34H,7-18,21-22,25-30H2,1-6H3
InChIKeyVWHFCCXSEFQQMR-UHFFFAOYSA-N
MW586.90 g/mol
LogP9.10
Rot. Bonds32

About 1-methoxy-1-(1-methoxy-10,10-dipropoxydec-2-enoxy)-10,10-dipropoxydec-2-ene

1-methoxy-1-(1-methoxy-10,10-dipropoxydec-2-enoxy)-10,10-dipropoxydec-2-ene (PubChem CID 162350636) has the molecular formula C34H66O7 and a molecular weight of 586.90 g/mol. Its IUPAC name is 1-methoxy-1-(1-methoxy-10,10-dipropoxydec-2-enoxy)-10,10-dipropoxydec-2-ene.

Molecular Properties

Compound Name1-methoxy-1-(1-methoxy-10,10-dipropoxydec-2-enoxy)-10,10-dipropoxydec-2-ene
PubChem CID162350636
Molecular FormulaC34H66O7
Molecular Weight586.90 g/mol
Exact Mass586.48
IUPAC Name1-methoxy-1-(1-methoxy-10,10-dipropoxydec-2-enoxy)-10,10-dipropoxydec-2-ene
SMILESCCCOC(CCCCCCC=CC(OC)OC(C=CCCCCCCC(OCCC)OCCC)OC)OCCC
InChIInChI=1S/C34H66O7/c1-7-27-37-33(38-28-8-2)25-21-17-13-11-15-19-23-31(35-5)41-32(36-6)24-20-16-12-14-18-22-26-34(39-29-9-3)40-30-10-4/h19-20,23-24,31-34H,7-18,21-22,25-30H2,1-6H3
InChIKeyVWHFCCXSEFQQMR-UHFFFAOYSA-N
XLogP9.10
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds32
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.90
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

9,9-dibutoxy-1-(9,9-dibutoxy-1-methoxynon-2-enoxy)-1-methoxynon-2-ene
CID 162350306
1-[1-decoxy-8-(8,8-didecoxy-1-methoxyoct-2-enoxy)-8-methoxyoct-6-enoxy]decane
CID 162350322
1-(18,18-diheptoxy-1-methoxyoctadec-2-enoxy)-18,18-diheptoxy-1-methoxyoctadec-2-ene
CID 163287779
1-methoxy-1-(1-methoxy-8,8-dioctoxyoct-2-enoxy)-8,8-dioctoxyoct-2-ene
CID 162350291
12,12-didecoxy-1-(12,12-didecoxy-1-methoxydodec-2-enoxy)-1-methoxydodec-2-ene
CID 162350514
1-ethoxy-1-(1-ethoxy-13,13-dipropoxytridec-2-enoxy)-13,13-dipropoxytridec-2-ene
CID 163287964
1-butoxy-1-(1-butoxy-15,15-dipropoxypentadec-2-enoxy)-15,15-dipropoxypentadec-2-ene
CID 163287687
1-(7,7-dihexoxy-1-methoxyhept-2-enoxy)-7,7-dihexoxy-1-methoxyhept-2-ene
CID 162350477
13,13-dibutoxy-1-(13,13-dibutoxy-1-propoxytridec-2-enoxy)-1-propoxytridec-2-ene
CID 163287774
1-(13,13-dioctoxy-1-propoxytridec-2-enoxy)-13,13-dioctoxy-1-propoxytridec-2-ene
CID 163287978
1-(15,15-diethoxy-1-propoxypentadec-2-enoxy)-15,15-diethoxy-1-propoxypentadec-2-ene
CID 163287744
1,13,13-trimethoxy-1-(1,13,13-trimethoxytridec-2-enoxy)tridec-2-ene
CID 162350366

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-(1-methoxy-10,10-dipropoxydec-2-enoxy)-10,10-dipropoxydec-2-ene?
The IUPAC name of 1-methoxy-1-(1-methoxy-10,10-dipropoxydec-2-enoxy)-10,10-dipropoxydec-2-ene (CID 162350636) is 1-methoxy-1-(1-methoxy-10,10-dipropoxydec-2-enoxy)-10,10-dipropoxydec-2-ene.
What is the SMILES notation for 1-methoxy-1-(1-methoxy-10,10-dipropoxydec-2-enoxy)-10,10-dipropoxydec-2-ene?
The canonical SMILES for 1-methoxy-1-(1-methoxy-10,10-dipropoxydec-2-enoxy)-10,10-dipropoxydec-2-ene is CCCOC(CCCCCCC=CC(OC)OC(C=CCCCCCCC(OCCC)OCCC)OC)OCCC.
What is the InChIKey of 1-methoxy-1-(1-methoxy-10,10-dipropoxydec-2-enoxy)-10,10-dipropoxydec-2-ene?
The InChIKey is VWHFCCXSEFQQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H66O7/c1-7-27-37-33(38-28-8-2)25-21-17-13-11-15-19-23-31(35-5)41-32(36-6)24-20-16-12-14-18-22-26-34(39-29-9-3)40-30-10-4/h19-20,23-24,31-34H,7-18,21-22,25-30H2,1-6H3.
What are the key properties of 1-methoxy-1-(1-methoxy-10,10-dipropoxydec-2-enoxy)-10,10-dipropoxydec-2-ene?
1-methoxy-1-(1-methoxy-10,10-dipropoxydec-2-enoxy)-10,10-dipropoxydec-2-ene has a molecular weight of 586.90 g/mol, XLogP of 9.10, 32 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-(1-methoxy-10,10-dipropoxydec-2-enoxy)-10,10-dipropoxydec-2-ene is sourced from PubChem (CID 162350636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).