6-(butoxymethyl)-3-methoxynonane-2,4-diol

C15H32O4 — CID 174514299

IUPAC6-(butoxymethyl)-3-methoxynonane-2,4-diol
SMILESCCCCOCC(CCC)CC(O)C(OC)C(C)O
InChIInChI=1S/C15H32O4/c1-5-7-9-19-11-13(8-6-2)10-14(17)15(18-4)12(3)16/h12-17H,5-11H2,1-4H3
InChIKeyOPSKAGVLTUYBHI-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.37
Rot. Bonds12

About 6-(butoxymethyl)-3-methoxynonane-2,4-diol

6-(butoxymethyl)-3-methoxynonane-2,4-diol (PubChem CID 174514299) has the molecular formula C15H32O4 and a molecular weight of 276.42 g/mol. Its IUPAC name is 6-(butoxymethyl)-3-methoxynonane-2,4-diol.

Molecular Properties

Compound Name6-(butoxymethyl)-3-methoxynonane-2,4-diol
PubChem CID174514299
Molecular FormulaC15H32O4
Molecular Weight276.42 g/mol
Exact Mass276.23
IUPAC Name6-(butoxymethyl)-3-methoxynonane-2,4-diol
SMILESCCCCOCC(CCC)CC(O)C(OC)C(C)O
InChIInChI=1S/C15H32O4/c1-5-7-9-19-11-13(8-6-2)10-14(17)15(18-4)12(3)16/h12-17H,5-11H2,1-4H3
InChIKeyOPSKAGVLTUYBHI-UHFFFAOYSA-N
XLogP2.37
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,3R,4R)-3-methoxyheptane-2,4-diol
CID 10012212
4-(butoxymethyl)nonane
CID 87066766
5-butoxy-4-methoxypentan-2-ol
CID 89084947
(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731
(2S)-1-butoxypropan-2-ol
CID 54289557
butane-2,3-diol;1-butoxybutane
CID 87169993
17-(hexadecoxymethyl)tritriacontan-15-ol
CID 139727197
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
10-(butoxymethyl)henicosane
CID 87840055
1-butoxypropan-2-ol;1-hexoxypropan-2-ol
CID 158093750
2-(butoxymethyl)butan-1-ol
CID 20660357
(3S)-4-hexadecoxy-3-methoxybutan-1-ol
CID 11393808

Frequently Asked Questions

What is the IUPAC name of 6-(butoxymethyl)-3-methoxynonane-2,4-diol?
The IUPAC name of 6-(butoxymethyl)-3-methoxynonane-2,4-diol (CID 174514299) is 6-(butoxymethyl)-3-methoxynonane-2,4-diol.
What is the SMILES notation for 6-(butoxymethyl)-3-methoxynonane-2,4-diol?
The canonical SMILES for 6-(butoxymethyl)-3-methoxynonane-2,4-diol is CCCCOCC(CCC)CC(O)C(OC)C(C)O.
What is the InChIKey of 6-(butoxymethyl)-3-methoxynonane-2,4-diol?
The InChIKey is OPSKAGVLTUYBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4/c1-5-7-9-19-11-13(8-6-2)10-14(17)15(18-4)12(3)16/h12-17H,5-11H2,1-4H3.
What are the key properties of 6-(butoxymethyl)-3-methoxynonane-2,4-diol?
6-(butoxymethyl)-3-methoxynonane-2,4-diol has a molecular weight of 276.42 g/mol, XLogP of 2.37, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butoxymethyl)-3-methoxynonane-2,4-diol is sourced from PubChem (CID 174514299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).