[2-(1-adamantyl)-5-methyl-1,3-dioxan-5-yl]methanol

C16H26O3 — CID 177083692

IUPAC[2-(1-adamantyl)-5-methyl-1,3-dioxan-5-yl]methanol
SMILESCC1(CO)COC(C23CC4CC(CC(C4)C2)C3)OC1
InChIInChI=1S/C16H26O3/c1-15(8-17)9-18-14(19-10-15)16-5-11-2-12(6-16)4-13(3-11)7-16/h11-14,17H,2-10H2,1H3
InChIKeyAQVTWFLDZYVBSE-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.57
Rot. Bonds2

About [2-(1-adamantyl)-5-methyl-1,3-dioxan-5-yl]methanol

[2-(1-adamantyl)-5-methyl-1,3-dioxan-5-yl]methanol (PubChem CID 177083692) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is [2-(1-adamantyl)-5-methyl-1,3-dioxan-5-yl]methanol.

Molecular Properties

Compound Name[2-(1-adamantyl)-5-methyl-1,3-dioxan-5-yl]methanol
PubChem CID177083692
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name[2-(1-adamantyl)-5-methyl-1,3-dioxan-5-yl]methanol
SMILESCC1(CO)COC(C23CC4CC(CC(C4)C2)C3)OC1
InChIInChI=1S/C16H26O3/c1-15(8-17)9-18-14(19-10-15)16-5-11-2-12(6-16)4-13(3-11)7-16/h11-14,17H,2-10H2,1H3
InChIKeyAQVTWFLDZYVBSE-UHFFFAOYSA-N
XLogP2.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantyl)-5-methyl-1,3-dioxan-5-yl]methanol?
The IUPAC name of [2-(1-adamantyl)-5-methyl-1,3-dioxan-5-yl]methanol (CID 177083692) is [2-(1-adamantyl)-5-methyl-1,3-dioxan-5-yl]methanol.
What is the SMILES notation for [2-(1-adamantyl)-5-methyl-1,3-dioxan-5-yl]methanol?
The canonical SMILES for [2-(1-adamantyl)-5-methyl-1,3-dioxan-5-yl]methanol is CC1(CO)COC(C23CC4CC(CC(C4)C2)C3)OC1.
What is the InChIKey of [2-(1-adamantyl)-5-methyl-1,3-dioxan-5-yl]methanol?
The InChIKey is AQVTWFLDZYVBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-15(8-17)9-18-14(19-10-15)16-5-11-2-12(6-16)4-13(3-11)7-16/h11-14,17H,2-10H2,1H3.
What are the key properties of [2-(1-adamantyl)-5-methyl-1,3-dioxan-5-yl]methanol?
[2-(1-adamantyl)-5-methyl-1,3-dioxan-5-yl]methanol has a molecular weight of 266.38 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantyl)-5-methyl-1,3-dioxan-5-yl]methanol is sourced from PubChem (CID 177083692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).