(1E,5E)-1-(methoxymethoxy)hepta-1,5-dien-4-ol

C9H16O3 — CID 134978986

IUPAC(1E,5E)-1-(methoxymethoxy)hepta-1,5-dien-4-ol
SMILESC/C=C/C(O)C/C=C/OCOC
InChIInChI=1S/C9H16O3/c1-3-5-9(10)6-4-7-12-8-11-2/h3-5,7,9-10H,6,8H2,1-2H3/b5-3+,7-4+
InChIKeyGLWHZTYRJHBIMV-HJIKTHEYSA-N
MW172.22 g/mol
LogP1.45
Rot. Bonds6

About (1E,5E)-1-(methoxymethoxy)hepta-1,5-dien-4-ol

(1E,5E)-1-(methoxymethoxy)hepta-1,5-dien-4-ol (PubChem CID 134978986) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (1E,5E)-1-(methoxymethoxy)hepta-1,5-dien-4-ol.

Molecular Properties

Compound Name(1E,5E)-1-(methoxymethoxy)hepta-1,5-dien-4-ol
PubChem CID134978986
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(1E,5E)-1-(methoxymethoxy)hepta-1,5-dien-4-ol
SMILESC/C=C/C(O)C/C=C/OCOC
InChIInChI=1S/C9H16O3/c1-3-5-9(10)6-4-7-12-8-11-2/h3-5,7,9-10H,6,8H2,1-2H3/b5-3+,7-4+
InChIKeyGLWHZTYRJHBIMV-HJIKTHEYSA-N
XLogP1.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(methoxymethoxy)prop-1-ene;zinc;bromide
CID 101021696
(3E)-1-(methoxymethoxy)penta-1,3-diene
CID 134890511
(E)-1-(methoxymethoxy)oct-1-en-3-ol
CID 11745383
17,17-dimethoxy-1-(methoxymethoxy)heptadec-1-ene
CID 163205994
(1E,5E)-1-phenylhepta-1,5-dien-4-ol
CID 100975516
(E)-hex-4-en-3-ol
CID 5366234
CID 101086860
CID 101086860
11,11-diethoxy-1-(methoxymethoxy)undec-1-ene
CID 162392533
1-(methoxymethoxy)hexadec-1-ene
CID 175225374
pent-3-ene-1,2-diol;hydrochloride
CID 141276135
(3R,5Z,9R,10E)-dodeca-1,5,10-triene-3,9-diol
CID 15441076
1-(methoxymethoxy)-5,5-dipropoxypent-1-ene
CID 162392404

Frequently Asked Questions

What is the IUPAC name of (1E,5E)-1-(methoxymethoxy)hepta-1,5-dien-4-ol?
The IUPAC name of (1E,5E)-1-(methoxymethoxy)hepta-1,5-dien-4-ol (CID 134978986) is (1E,5E)-1-(methoxymethoxy)hepta-1,5-dien-4-ol.
What is the SMILES notation for (1E,5E)-1-(methoxymethoxy)hepta-1,5-dien-4-ol?
The canonical SMILES for (1E,5E)-1-(methoxymethoxy)hepta-1,5-dien-4-ol is C/C=C/C(O)C/C=C/OCOC.
What is the InChIKey of (1E,5E)-1-(methoxymethoxy)hepta-1,5-dien-4-ol?
The InChIKey is GLWHZTYRJHBIMV-HJIKTHEYSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-5-9(10)6-4-7-12-8-11-2/h3-5,7,9-10H,6,8H2,1-2H3/b5-3+,7-4+.
What are the key properties of (1E,5E)-1-(methoxymethoxy)hepta-1,5-dien-4-ol?
(1E,5E)-1-(methoxymethoxy)hepta-1,5-dien-4-ol has a molecular weight of 172.22 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5E)-1-(methoxymethoxy)hepta-1,5-dien-4-ol is sourced from PubChem (CID 134978986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).