2-(heptoxymethyl)-4-methoxy-5-methyloxan-3-ol

C15H30O4 — CID 19699711

IUPAC2-(heptoxymethyl)-4-methoxy-5-methyloxan-3-ol
SMILESCCCCCCCOCC1OCC(C)C(OC)C1O
InChIInChI=1S/C15H30O4/c1-4-5-6-7-8-9-18-11-13-14(16)15(17-3)12(2)10-19-13/h12-16H,4-11H2,1-3H3
InChIKeyRHJZOFRSGFIGCA-UHFFFAOYSA-N
MW274.40 g/mol
LogP2.38
Rot. Bonds9

About 2-(heptoxymethyl)-4-methoxy-5-methyloxan-3-ol

2-(heptoxymethyl)-4-methoxy-5-methyloxan-3-ol (PubChem CID 19699711) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-(heptoxymethyl)-4-methoxy-5-methyloxan-3-ol.

Molecular Properties

Compound Name2-(heptoxymethyl)-4-methoxy-5-methyloxan-3-ol
PubChem CID19699711
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name2-(heptoxymethyl)-4-methoxy-5-methyloxan-3-ol
SMILESCCCCCCCOCC1OCC(C)C(OC)C1O
InChIInChI=1S/C15H30O4/c1-4-5-6-7-8-9-18-11-13-14(16)15(17-3)12(2)10-19-13/h12-16H,4-11H2,1-3H3
InChIKeyRHJZOFRSGFIGCA-UHFFFAOYSA-N
XLogP2.38
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
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,5S)-4-methoxy-5-methyl-2-nonyloxan-3-ol
CID 57068245
(2S,3R,4S)-4-amino-2-(nonoxymethyl)oxolan-3-ol
CID 132525337
2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol
CID 19699685
(2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol
CID 58017669
(2S,3R,4S,5R,6R)-6-(heptoxymethyl)oxane-2,3,4,5-tetrol
CID 102096103
2-ethyl-3-(hexoxymethyl)oxetane
CID 141321228
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-methyloxirane;1-octadecoxyoctadecane
CID 88807513

Frequently Asked Questions

What is the IUPAC name of 2-(heptoxymethyl)-4-methoxy-5-methyloxan-3-ol?
The IUPAC name of 2-(heptoxymethyl)-4-methoxy-5-methyloxan-3-ol (CID 19699711) is 2-(heptoxymethyl)-4-methoxy-5-methyloxan-3-ol.
What is the SMILES notation for 2-(heptoxymethyl)-4-methoxy-5-methyloxan-3-ol?
The canonical SMILES for 2-(heptoxymethyl)-4-methoxy-5-methyloxan-3-ol is CCCCCCCOCC1OCC(C)C(OC)C1O.
What is the InChIKey of 2-(heptoxymethyl)-4-methoxy-5-methyloxan-3-ol?
The InChIKey is RHJZOFRSGFIGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4/c1-4-5-6-7-8-9-18-11-13-14(16)15(17-3)12(2)10-19-13/h12-16H,4-11H2,1-3H3.
What are the key properties of 2-(heptoxymethyl)-4-methoxy-5-methyloxan-3-ol?
2-(heptoxymethyl)-4-methoxy-5-methyloxan-3-ol has a molecular weight of 274.40 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptoxymethyl)-4-methoxy-5-methyloxan-3-ol is sourced from PubChem (CID 19699711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).