(3R,4R,5S)-1,2,3,4,6-pentamethoxy-5-propan-2-yloxyhexane

C14H30O6 — CID 88544683

IUPAC(3R,4R,5S)-1,2,3,4,6-pentamethoxy-5-propan-2-yloxyhexane
SMILESCOCC(OC)[C@@H](OC)[C@H](OC)[C@H](COC)OC(C)C
InChIInChI=1S/C14H30O6/c1-10(2)20-12(9-16-4)14(19-7)13(18-6)11(17-5)8-15-3/h10-14H,8-9H2,1-7H3/t11?,12-,13+,14+/m0/s1
InChIKeyZAWONOOWCKAUKV-CKISJDIXSA-N
MW294.39 g/mol
LogP1.12
Rot. Bonds12

About (3R,4R,5S)-1,2,3,4,6-pentamethoxy-5-propan-2-yloxyhexane

(3R,4R,5S)-1,2,3,4,6-pentamethoxy-5-propan-2-yloxyhexane (PubChem CID 88544683) has the molecular formula C14H30O6 and a molecular weight of 294.39 g/mol. Its IUPAC name is (3R,4R,5S)-1,2,3,4,6-pentamethoxy-5-propan-2-yloxyhexane.

Molecular Properties

Compound Name(3R,4R,5S)-1,2,3,4,6-pentamethoxy-5-propan-2-yloxyhexane
PubChem CID88544683
Molecular FormulaC14H30O6
Molecular Weight294.39 g/mol
Exact Mass294.20
IUPAC Name(3R,4R,5S)-1,2,3,4,6-pentamethoxy-5-propan-2-yloxyhexane
SMILESCOCC(OC)[C@@H](OC)[C@H](OC)[C@H](COC)OC(C)C
InChIInChI=1S/C14H30O6/c1-10(2)20-12(9-16-4)14(19-7)13(18-6)11(17-5)8-15-3/h10-14H,8-9H2,1-7H3/t11?,12-,13+,14+/m0/s1
InChIKeyZAWONOOWCKAUKV-CKISJDIXSA-N
XLogP1.12
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-1,2,3,4,6-pentamethoxy-5-propan-2-yloxyhexane?
The IUPAC name of (3R,4R,5S)-1,2,3,4,6-pentamethoxy-5-propan-2-yloxyhexane (CID 88544683) is (3R,4R,5S)-1,2,3,4,6-pentamethoxy-5-propan-2-yloxyhexane.
What is the SMILES notation for (3R,4R,5S)-1,2,3,4,6-pentamethoxy-5-propan-2-yloxyhexane?
The canonical SMILES for (3R,4R,5S)-1,2,3,4,6-pentamethoxy-5-propan-2-yloxyhexane is COCC(OC)[C@@H](OC)[C@H](OC)[C@H](COC)OC(C)C.
What is the InChIKey of (3R,4R,5S)-1,2,3,4,6-pentamethoxy-5-propan-2-yloxyhexane?
The InChIKey is ZAWONOOWCKAUKV-CKISJDIXSA-N. The full InChI is InChI=1S/C14H30O6/c1-10(2)20-12(9-16-4)14(19-7)13(18-6)11(17-5)8-15-3/h10-14H,8-9H2,1-7H3/t11?,12-,13+,14+/m0/s1.
What are the key properties of (3R,4R,5S)-1,2,3,4,6-pentamethoxy-5-propan-2-yloxyhexane?
(3R,4R,5S)-1,2,3,4,6-pentamethoxy-5-propan-2-yloxyhexane has a molecular weight of 294.39 g/mol, XLogP of 1.12, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-1,2,3,4,6-pentamethoxy-5-propan-2-yloxyhexane is sourced from PubChem (CID 88544683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).