2-(3,5-dimethyl-1-adamantyl)-1-(oxolan-3-yl)ethanol

C18H30O2 — CID 115798125

IUPAC2-(3,5-dimethyl-1-adamantyl)-1-(oxolan-3-yl)ethanol
SMILESCC12CC3CC(C)(C1)CC(CC(O)C1CCOC1)(C3)C2
InChIInChI=1S/C18H30O2/c1-16-5-13-6-17(2,10-16)12-18(7-13,11-16)8-15(19)14-3-4-20-9-14/h13-15,19H,3-12H2,1-2H3
InChIKeyJHVAAHWOZPFMFH-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.77
Rot. Bonds3

About 2-(3,5-dimethyl-1-adamantyl)-1-(oxolan-3-yl)ethanol

2-(3,5-dimethyl-1-adamantyl)-1-(oxolan-3-yl)ethanol (PubChem CID 115798125) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-adamantyl)-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-adamantyl)-1-(oxolan-3-yl)ethanol
PubChem CID115798125
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name2-(3,5-dimethyl-1-adamantyl)-1-(oxolan-3-yl)ethanol
SMILESCC12CC3CC(C)(C1)CC(CC(O)C1CCOC1)(C3)C2
InChIInChI=1S/C18H30O2/c1-16-5-13-6-17(2,10-16)12-18(7-13,11-16)8-15(19)14-3-4-20-9-14/h13-15,19H,3-12H2,1-2H3
InChIKeyJHVAAHWOZPFMFH-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-cyclobutyl-3-(3,5-dimethyl-1-adamantyl)propan-2-yl]hydrazine
CID 105310162
[(3S,5S)-3,5-dimethyl-1-adamantyl]methanol
CID 98043737
(1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol
CID 124679633
(1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol
CID 93046962
1-(oxolan-3-yl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanol
CID 102745374
1-(3,5-dimethyl-1-adamantyl)-N-propylpentan-2-amine
CID 114981869
3-ethylsulfanyl-1-(oxolan-3-yl)propan-1-ol
CID 116504528
2-(3,5-dimethyl-1-adamantyl)-1-phenylethanamine
CID 79987752
oxolan-3-yl(piperidin-4-yl)methanol
CID 80560253
1-(oxolan-3-yl)but-3-en-1-ol
CID 65329899
[1-(3,5-dimethyl-1-adamantyl)-3-methylbutan-2-yl]hydrazine
CID 105281772
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-adamantyl)-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-(3,5-dimethyl-1-adamantyl)-1-(oxolan-3-yl)ethanol (CID 115798125) is 2-(3,5-dimethyl-1-adamantyl)-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-(3,5-dimethyl-1-adamantyl)-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-(3,5-dimethyl-1-adamantyl)-1-(oxolan-3-yl)ethanol is CC12CC3CC(C)(C1)CC(CC(O)C1CCOC1)(C3)C2.
What is the InChIKey of 2-(3,5-dimethyl-1-adamantyl)-1-(oxolan-3-yl)ethanol?
The InChIKey is JHVAAHWOZPFMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-16-5-13-6-17(2,10-16)12-18(7-13,11-16)8-15(19)14-3-4-20-9-14/h13-15,19H,3-12H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1-adamantyl)-1-(oxolan-3-yl)ethanol?
2-(3,5-dimethyl-1-adamantyl)-1-(oxolan-3-yl)ethanol has a molecular weight of 278.44 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-adamantyl)-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 115798125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).