2,3-dihydrofuran-5-yl-(3,5-dimethyl-1-adamantyl)methanol

C17H26O2 — CID 102653846

IUPAC2,3-dihydrofuran-5-yl-(3,5-dimethyl-1-adamantyl)methanol
SMILESCC12CC3CC(C)(C1)CC(C(O)C1=CCCO1)(C3)C2
InChIInChI=1S/C17H26O2/c1-15-6-12-7-16(2,9-15)11-17(8-12,10-15)14(18)13-4-3-5-19-13/h4,12,14,18H,3,5-11H2,1-2H3
InChIKeyHWJXTSJSONWCKL-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.65
Rot. Bonds2

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

2,3-dihydrofuran-5-yl-(3,5-dimethyl-1-adamantyl)methanol (PubChem CID 102653846) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl-(3,5-dimethyl-1-adamantyl)methanol.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl-(3,5-dimethyl-1-adamantyl)methanol
PubChem CID102653846
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2,3-dihydrofuran-5-yl-(3,5-dimethyl-1-adamantyl)methanol
SMILESCC12CC3CC(C)(C1)CC(C(O)C1=CCCO1)(C3)C2
InChIInChI=1S/C17H26O2/c1-15-6-12-7-16(2,9-15)11-17(8-12,10-15)14(18)13-4-3-5-19-13/h4,12,14,18H,3,5-11H2,1-2H3
InChIKeyHWJXTSJSONWCKL-UHFFFAOYSA-N
XLogP3.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl-(3,5-dimethyl-1-adamantyl)methanol?
The IUPAC name of 2,3-dihydrofuran-5-yl-(3,5-dimethyl-1-adamantyl)methanol (CID 102653846) is 2,3-dihydrofuran-5-yl-(3,5-dimethyl-1-adamantyl)methanol.
What is the SMILES notation for 2,3-dihydrofuran-5-yl-(3,5-dimethyl-1-adamantyl)methanol?
The canonical SMILES for 2,3-dihydrofuran-5-yl-(3,5-dimethyl-1-adamantyl)methanol is CC12CC3CC(C)(C1)CC(C(O)C1=CCCO1)(C3)C2.
What is the InChIKey of 2,3-dihydrofuran-5-yl-(3,5-dimethyl-1-adamantyl)methanol?
The InChIKey is HWJXTSJSONWCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-15-6-12-7-16(2,9-15)11-17(8-12,10-15)14(18)13-4-3-5-19-13/h4,12,14,18H,3,5-11H2,1-2H3.
What are the key properties of 2,3-dihydrofuran-5-yl-(3,5-dimethyl-1-adamantyl)methanol?
2,3-dihydrofuran-5-yl-(3,5-dimethyl-1-adamantyl)methanol has a molecular weight of 262.39 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-5-yl-(3,5-dimethyl-1-adamantyl)methanol is sourced from PubChem (CID 102653846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).