3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol

C18H36O3 — CID 161465176

IUPAC3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol
SMILESC=CC(CCCCC)OCOC.C=CC(O)CCCCC
InChIInChI=1S/C10H20O2.C8H16O/c1-4-6-7-8-10(5-2)12-9-11-3;1-3-5-6-7-8(9)4-2/h5,10H,2,4,6-9H2,1,3H3;4,8-9H,2-3,5-7H2,1H3
InChIKeyWCIGFPDVMUBPQG-UHFFFAOYSA-N
MW300.48 g/mol
LogP4.86
Rot. Bonds13

About 3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol

3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol (PubChem CID 161465176) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is 3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol.

Molecular Properties

Compound Name3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol
PubChem CID161465176
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Name3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol
SMILESC=CC(CCCCC)OCOC.C=CC(O)CCCCC
InChIInChI=1S/C10H20O2.C8H16O/c1-4-6-7-8-10(5-2)12-9-11-3;1-3-5-6-7-8(9)4-2/h5,10H,2,4,6-9H2,1,3H3;4,8-9H,2-3,5-7H2,1H3
InChIKeyWCIGFPDVMUBPQG-UHFFFAOYSA-N
XLogP4.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

undec-1-en-3-ol
CID 3015762
(3R)-dec-1-en-3-ol
CID 12619485
heptadec-1-en-3-ol
CID 11858939
(8S)-8-(methoxymethoxy)dec-9-en-1-ol
CID 24862520
3-oct-1-en-3-yloxyoct-1-ene
CID 21413587
(2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol
CID 44604186
3-propoxynonadec-1-ene
CID 87204997
3-methoxynon-1-ene
CID 12563924
oct-1-en-3-ol;propanoic acid
CID 57351786
ethyl 7-(methoxymethoxy)-3-oxonon-8-enoate
CID 118179619
(E)-1-(methoxymethoxy)oct-1-en-3-ol
CID 11745383
6-methoxyhex-1-en-3-ol
CID 105108568

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol?
The IUPAC name of 3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol (CID 161465176) is 3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol.
What is the SMILES notation for 3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol?
The canonical SMILES for 3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol is C=CC(CCCCC)OCOC.C=CC(O)CCCCC.
What is the InChIKey of 3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol?
The InChIKey is WCIGFPDVMUBPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C8H16O/c1-4-6-7-8-10(5-2)12-9-11-3;1-3-5-6-7-8(9)4-2/h5,10H,2,4,6-9H2,1,3H3;4,8-9H,2-3,5-7H2,1H3.
What are the key properties of 3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol?
3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol has a molecular weight of 300.48 g/mol, XLogP of 4.86, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol is sourced from PubChem (CID 161465176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).