(4S,5S)-4,5-bis(methoxymethoxy)non-1-en-3-ol

C13H26O5 — CID 135039854

IUPAC(4S,5S)-4,5-bis(methoxymethoxy)non-1-en-3-ol
SMILESC=CC(O)[C@H](OCOC)[C@H](CCCC)OCOC
InChIInChI=1S/C13H26O5/c1-5-7-8-12(17-9-15-3)13(11(14)6-2)18-10-16-4/h6,11-14H,2,5,7-10H2,1,3-4H3/t11?,12-,13-/m0/s1
InChIKeySYOBMODTAVUTGO-SPOOISQMSA-N
MW262.35 g/mol
LogP1.70
Rot. Bonds12

About (4S,5S)-4,5-bis(methoxymethoxy)non-1-en-3-ol

(4S,5S)-4,5-bis(methoxymethoxy)non-1-en-3-ol (PubChem CID 135039854) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is (4S,5S)-4,5-bis(methoxymethoxy)non-1-en-3-ol.

Molecular Properties

Compound Name(4S,5S)-4,5-bis(methoxymethoxy)non-1-en-3-ol
PubChem CID135039854
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Name(4S,5S)-4,5-bis(methoxymethoxy)non-1-en-3-ol
SMILESC=CC(O)[C@H](OCOC)[C@H](CCCC)OCOC
InChIInChI=1S/C13H26O5/c1-5-7-8-12(17-9-15-3)13(11(14)6-2)18-10-16-4/h6,11-14H,2,5,7-10H2,1,3-4H3/t11?,12-,13-/m0/s1
InChIKeySYOBMODTAVUTGO-SPOOISQMSA-N
XLogP1.70
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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,4R,5S)-4-(methoxymethoxy)undec-2-en-5-ol
CID 10466412
(4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 11322182
(4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol
CID 11346374
(4S,6R)-6-(methoxymethoxy)tridec-1-en-4-ol
CID 12187867
3-(Methoxymethoxy)oct-1-en-4-ol
CID 13025034
(4R,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 16059325
(3S,4R)-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-ene-3,4-diol
CID 44221473
1-(6-Allyl-3-methoxymethoxy-tetrahydro-pyran-2-yl)-propan-2-ol
CID 53305213
(4S,6R)-6-(2-methoxyethoxymethoxy)octa-1,7-dien-4-ol
CID 71567153
(1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]octan-1-ol
CID 72708008
(4S,5R,6R)-5,6-bis(methoxymethoxy)hept-1-en-4-ol
CID 102144558
(4R,5R,6R)-5,6-bis(methoxymethoxy)hept-1-en-4-ol
CID 102144559

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4,5-bis(methoxymethoxy)non-1-en-3-ol?
The IUPAC name of (4S,5S)-4,5-bis(methoxymethoxy)non-1-en-3-ol (CID 135039854) is (4S,5S)-4,5-bis(methoxymethoxy)non-1-en-3-ol.
What is the SMILES notation for (4S,5S)-4,5-bis(methoxymethoxy)non-1-en-3-ol?
The canonical SMILES for (4S,5S)-4,5-bis(methoxymethoxy)non-1-en-3-ol is C=CC(O)[C@H](OCOC)[C@H](CCCC)OCOC.
What is the InChIKey of (4S,5S)-4,5-bis(methoxymethoxy)non-1-en-3-ol?
The InChIKey is SYOBMODTAVUTGO-SPOOISQMSA-N. The full InChI is InChI=1S/C13H26O5/c1-5-7-8-12(17-9-15-3)13(11(14)6-2)18-10-16-4/h6,11-14H,2,5,7-10H2,1,3-4H3/t11?,12-,13-/m0/s1.
What are the key properties of (4S,5S)-4,5-bis(methoxymethoxy)non-1-en-3-ol?
(4S,5S)-4,5-bis(methoxymethoxy)non-1-en-3-ol has a molecular weight of 262.35 g/mol, XLogP of 1.70, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4,5-bis(methoxymethoxy)non-1-en-3-ol is sourced from PubChem (CID 135039854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).