(3S,4S)-4-(methoxymethoxy)-3-[2-(methoxymethoxy)ethyl]-6-methylhept-6-ene-1,5-diol

C14H28O6 — CID 10266343

IUPAC(3S,4S)-4-(methoxymethoxy)-3-[2-(methoxymethoxy)ethyl]-6-methylhept-6-ene-1,5-diol
SMILESC=C(C)C(O)[C@@H](OCOC)[C@@H](CCO)CCOCOC
InChIInChI=1S/C14H28O6/c1-11(2)13(16)14(20-10-18-4)12(5-7-15)6-8-19-9-17-3/h12-16H,1,5-10H2,2-4H3/t12-,13?,14-/m0/s1
InChIKeyCOUXOOUABUEOCK-HPNRGHHYSA-N
MW292.37 g/mol
LogP0.92
Rot. Bonds13

About (3S,4S)-4-(methoxymethoxy)-3-[2-(methoxymethoxy)ethyl]-6-methylhept-6-ene-1,5-diol

(3S,4S)-4-(methoxymethoxy)-3-[2-(methoxymethoxy)ethyl]-6-methylhept-6-ene-1,5-diol (PubChem CID 10266343) has the molecular formula C14H28O6 and a molecular weight of 292.37 g/mol. Its IUPAC name is (3S,4S)-4-(methoxymethoxy)-3-[2-(methoxymethoxy)ethyl]-6-methylhept-6-ene-1,5-diol.

Molecular Properties

Compound Name(3S,4S)-4-(methoxymethoxy)-3-[2-(methoxymethoxy)ethyl]-6-methylhept-6-ene-1,5-diol
PubChem CID10266343
Molecular FormulaC14H28O6
Molecular Weight292.37 g/mol
Exact Mass292.19
IUPAC Name(3S,4S)-4-(methoxymethoxy)-3-[2-(methoxymethoxy)ethyl]-6-methylhept-6-ene-1,5-diol
SMILESC=C(C)C(O)[C@@H](OCOC)[C@@H](CCO)CCOCOC
InChIInChI=1S/C14H28O6/c1-11(2)13(16)14(20-10-18-4)12(5-7-15)6-8-19-9-17-3/h12-16H,1,5-10H2,2-4H3/t12-,13?,14-/m0/s1
InChIKeyCOUXOOUABUEOCK-HPNRGHHYSA-N
XLogP0.92
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(methoxymethoxy)-3-[2-(methoxymethoxy)ethyl]-6-methylhept-6-ene-1,5-diol?
The IUPAC name of (3S,4S)-4-(methoxymethoxy)-3-[2-(methoxymethoxy)ethyl]-6-methylhept-6-ene-1,5-diol (CID 10266343) is (3S,4S)-4-(methoxymethoxy)-3-[2-(methoxymethoxy)ethyl]-6-methylhept-6-ene-1,5-diol.
What is the SMILES notation for (3S,4S)-4-(methoxymethoxy)-3-[2-(methoxymethoxy)ethyl]-6-methylhept-6-ene-1,5-diol?
The canonical SMILES for (3S,4S)-4-(methoxymethoxy)-3-[2-(methoxymethoxy)ethyl]-6-methylhept-6-ene-1,5-diol is C=C(C)C(O)[C@@H](OCOC)[C@@H](CCO)CCOCOC.
What is the InChIKey of (3S,4S)-4-(methoxymethoxy)-3-[2-(methoxymethoxy)ethyl]-6-methylhept-6-ene-1,5-diol?
The InChIKey is COUXOOUABUEOCK-HPNRGHHYSA-N. The full InChI is InChI=1S/C14H28O6/c1-11(2)13(16)14(20-10-18-4)12(5-7-15)6-8-19-9-17-3/h12-16H,1,5-10H2,2-4H3/t12-,13?,14-/m0/s1.
What are the key properties of (3S,4S)-4-(methoxymethoxy)-3-[2-(methoxymethoxy)ethyl]-6-methylhept-6-ene-1,5-diol?
(3S,4S)-4-(methoxymethoxy)-3-[2-(methoxymethoxy)ethyl]-6-methylhept-6-ene-1,5-diol has a molecular weight of 292.37 g/mol, XLogP of 0.92, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(methoxymethoxy)-3-[2-(methoxymethoxy)ethyl]-6-methylhept-6-ene-1,5-diol is sourced from PubChem (CID 10266343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).