(1R,2S)-1,2-bis(1-adamantyl)ethane-1,2-diol

C22H34O2 — CID 15263672

IUPAC(1R,2S)-1,2-bis(1-adamantyl)ethane-1,2-diol
SMILESO[C@H]([C@H](O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H34O2/c23-19(21-7-13-1-14(8-21)3-15(2-13)9-21)20(24)22-10-16-4-17(11-22)6-18(5-16)12-22/h13-20,23-24H,1-12H2/t13?,14?,15?,16?,17?,18?,19-,20+,21?,22?
InChIKeyYZWJZKCXXVUTDO-NIWIVVPGSA-N
MW330.51 g/mol
LogP4.14
Rot. Bonds3

About (1R,2S)-1,2-bis(1-adamantyl)ethane-1,2-diol

(1R,2S)-1,2-bis(1-adamantyl)ethane-1,2-diol (PubChem CID 15263672) has the molecular formula C22H34O2 and a molecular weight of 330.51 g/mol. Its IUPAC name is (1R,2S)-1,2-bis(1-adamantyl)ethane-1,2-diol.

Molecular Properties

Compound Name(1R,2S)-1,2-bis(1-adamantyl)ethane-1,2-diol
PubChem CID15263672
Molecular FormulaC22H34O2
Molecular Weight330.51 g/mol
Exact Mass330.26
IUPAC Name(1R,2S)-1,2-bis(1-adamantyl)ethane-1,2-diol
SMILESO[C@H]([C@H](O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H34O2/c23-19(21-7-13-1-14(8-21)3-15(2-13)9-21)20(24)22-10-16-4-17(11-22)6-18(5-16)12-22/h13-20,23-24H,1-12H2/t13?,14?,15?,16?,17?,18?,19-,20+,21?,22?
InChIKeyYZWJZKCXXVUTDO-NIWIVVPGSA-N
XLogP4.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1,2-bis(1-adamantyl)ethane-1,2-diol?
The IUPAC name of (1R,2S)-1,2-bis(1-adamantyl)ethane-1,2-diol (CID 15263672) is (1R,2S)-1,2-bis(1-adamantyl)ethane-1,2-diol.
What is the SMILES notation for (1R,2S)-1,2-bis(1-adamantyl)ethane-1,2-diol?
The canonical SMILES for (1R,2S)-1,2-bis(1-adamantyl)ethane-1,2-diol is O[C@H]([C@H](O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (1R,2S)-1,2-bis(1-adamantyl)ethane-1,2-diol?
The InChIKey is YZWJZKCXXVUTDO-NIWIVVPGSA-N. The full InChI is InChI=1S/C22H34O2/c23-19(21-7-13-1-14(8-21)3-15(2-13)9-21)20(24)22-10-16-4-17(11-22)6-18(5-16)12-22/h13-20,23-24H,1-12H2/t13?,14?,15?,16?,17?,18?,19-,20+,21?,22?.
What are the key properties of (1R,2S)-1,2-bis(1-adamantyl)ethane-1,2-diol?
(1R,2S)-1,2-bis(1-adamantyl)ethane-1,2-diol has a molecular weight of 330.51 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1,2-bis(1-adamantyl)ethane-1,2-diol is sourced from PubChem (CID 15263672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).