1-adamantyl-(2,2,5,5-tetramethyloxolan-3-yl)methanol

C19H32O2 — CID 114622611

IUPAC1-adamantyl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)C23CC4CC(CC(C4)C2)C3)C(C)(C)O1
InChIInChI=1S/C19H32O2/c1-17(2)11-15(18(3,4)21-17)16(20)19-8-12-5-13(9-19)7-14(6-12)10-19/h12-16,20H,5-11H2,1-4H3
InChIKeyKNVOOJKALRSAJQ-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.16
Rot. Bonds2

About 1-adamantyl-(2,2,5,5-tetramethyloxolan-3-yl)methanol

1-adamantyl-(2,2,5,5-tetramethyloxolan-3-yl)methanol (PubChem CID 114622611) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 1-adamantyl-(2,2,5,5-tetramethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name1-adamantyl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
PubChem CID114622611
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name1-adamantyl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)C23CC4CC(CC(C4)C2)C3)C(C)(C)O1
InChIInChI=1S/C19H32O2/c1-17(2)11-15(18(3,4)21-17)16(20)19-8-12-5-13(9-19)7-14(6-12)10-19/h12-16,20H,5-11H2,1-4H3
InChIKeyKNVOOJKALRSAJQ-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The IUPAC name of 1-adamantyl-(2,2,5,5-tetramethyloxolan-3-yl)methanol (CID 114622611) is 1-adamantyl-(2,2,5,5-tetramethyloxolan-3-yl)methanol.
What is the SMILES notation for 1-adamantyl-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The canonical SMILES for 1-adamantyl-(2,2,5,5-tetramethyloxolan-3-yl)methanol is CC1(C)CC(C(O)C23CC4CC(CC(C4)C2)C3)C(C)(C)O1.
What is the InChIKey of 1-adamantyl-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The InChIKey is KNVOOJKALRSAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-17(2)11-15(18(3,4)21-17)16(20)19-8-12-5-13(9-19)7-14(6-12)10-19/h12-16,20H,5-11H2,1-4H3.
What are the key properties of 1-adamantyl-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
1-adamantyl-(2,2,5,5-tetramethyloxolan-3-yl)methanol has a molecular weight of 292.46 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(2,2,5,5-tetramethyloxolan-3-yl)methanol is sourced from PubChem (CID 114622611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).