[2-(1-adamantyl)-2-methyl-1,3-dioxolan-4-yl]methanol

C15H24O3 — CID 59641529

IUPAC[2-(1-adamantyl)-2-methyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C23CC4CC(CC(C4)C2)C3)OCC(CO)O1
InChIInChI=1S/C15H24O3/c1-14(17-9-13(8-16)18-14)15-5-10-2-11(6-15)4-12(3-10)7-15/h10-13,16H,2-9H2,1H3
InChIKeyIIHNLNUFCSJCTO-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.33
Rot. Bonds2

About [2-(1-adamantyl)-2-methyl-1,3-dioxolan-4-yl]methanol

[2-(1-adamantyl)-2-methyl-1,3-dioxolan-4-yl]methanol (PubChem CID 59641529) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is [2-(1-adamantyl)-2-methyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-(1-adamantyl)-2-methyl-1,3-dioxolan-4-yl]methanol
PubChem CID59641529
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name[2-(1-adamantyl)-2-methyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C23CC4CC(CC(C4)C2)C3)OCC(CO)O1
InChIInChI=1S/C15H24O3/c1-14(17-9-13(8-16)18-14)15-5-10-2-11(6-15)4-12(3-10)7-15/h10-13,16H,2-9H2,1H3
InChIKeyIIHNLNUFCSJCTO-UHFFFAOYSA-N
XLogP2.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-(1-adamantyl)-2-methyl-1,3-dioxolan-4-yl]methanol (CID 59641529) is [2-(1-adamantyl)-2-methyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-(1-adamantyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-(1-adamantyl)-2-methyl-1,3-dioxolan-4-yl]methanol is CC1(C23CC4CC(CC(C4)C2)C3)OCC(CO)O1.
What is the InChIKey of [2-(1-adamantyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is IIHNLNUFCSJCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-14(17-9-13(8-16)18-14)15-5-10-2-11(6-15)4-12(3-10)7-15/h10-13,16H,2-9H2,1H3.
What are the key properties of [2-(1-adamantyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
[2-(1-adamantyl)-2-methyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 252.35 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantyl)-2-methyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 59641529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).