6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexan-1-ol

C27H54O4 — CID 23042923

IUPAC6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexan-1-ol
SMILESCCCCCCCCCCCCCCCCCC1OCC(COCCCCCCO)O1
InChIInChI=1S/C27H54O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-27-30-25-26(31-27)24-29-23-20-17-16-19-22-28/h26-28H,2-25H2,1H3
InChIKeyYVOIVHIZNUOAQL-UHFFFAOYSA-N
MW442.73 g/mol
LogP7.56
Rot. Bonds24

About 6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexan-1-ol

6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexan-1-ol (PubChem CID 23042923) has the molecular formula C27H54O4 and a molecular weight of 442.73 g/mol. Its IUPAC name is 6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexan-1-ol
PubChem CID23042923
Molecular FormulaC27H54O4
Molecular Weight442.73 g/mol
Exact Mass442.40
IUPAC Name6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexan-1-ol
SMILESCCCCCCCCCCCCCCCCCC1OCC(COCCCCCCO)O1
InChIInChI=1S/C27H54O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-27-30-25-26(31-27)24-29-23-20-17-16-19-22-28/h26-28H,2-25H2,1H3
InChIKeyYVOIVHIZNUOAQL-UHFFFAOYSA-N
XLogP7.56
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.73
LogP ≤ 57.56
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

[(2R,4R)-4-(tetradecoxymethyl)-1,3-dioxolan-2-yl]methanol
CID 129383460
(2-pentadecyl-1,3-dioxolan-4-yl)methoxymethanol
CID 123535578
1-[6-[[(2R,4R)-2-heptadecyl-1,3-dioxolan-4-yl]methoxy]hexyl]pyridin-1-ium
CID 88527875
1-[4-[[(2S,4S)-2-heptadecyl-1,3-dioxolan-4-yl]methoxy]butyl]pyridin-1-ium
CID 88529103
hexane;hexane-1,6-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174849924
(2S)-2-(octoxymethyl)oxirane
CID 87274801
10-(oxiran-2-ylmethoxy)decan-1-ol
CID 141116749
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(pentoxymethyl)oxirane
CID 160890113

Frequently Asked Questions

What is the IUPAC name of 6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexan-1-ol?
The IUPAC name of 6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexan-1-ol (CID 23042923) is 6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexan-1-ol.
What is the SMILES notation for 6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexan-1-ol?
The canonical SMILES for 6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexan-1-ol is CCCCCCCCCCCCCCCCCC1OCC(COCCCCCCO)O1.
What is the InChIKey of 6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexan-1-ol?
The InChIKey is YVOIVHIZNUOAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-27-30-25-26(31-27)24-29-23-20-17-16-19-22-28/h26-28H,2-25H2,1H3.
What are the key properties of 6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexan-1-ol?
6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexan-1-ol has a molecular weight of 442.73 g/mol, XLogP of 7.56, 24 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexan-1-ol is sourced from PubChem (CID 23042923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).