[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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Related Compounds

[7-(hydroxymethyl)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]methanol
CID 139437917
(3-methyloxetan-3-yl)methanol;oxetan-2-ol
CID 89400317
[8,16-diethyl-12-(hydroxymethyl)-3,12-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol
CID 139424095
1-adamantylmethanol;hydrochloride
CID 141053946
(2,5-dimethyl-1,3,2-dioxaborinan-5-yl)methanol
CID 123875514
[4-(hydroxymethyl)-2-methyl-1,3-oxazolidin-4-yl]methanol
CID 55299662
(2-methoxy-2,5-dimethyl-1,3-dioxan-5-yl)methanol
CID 54203877
[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methanol
CID 6974562
3,3-diethylbicyclo[3.1.1]heptane
CID 140814680
[7-(methoxymethyl)-7-methyl-3-bicyclo[3.3.1]nonanyl]methanol
CID 146536126
adamantane;1-methyladamantane
CID 53425859
[3,7,14-triethyl-3-(hydroxymethyl)-11-methyl-1,5,9,13-tetraoxaspiro[5.9]pentadecan-11-yl]methanol
CID 155327910

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).