(1R)-1-[2-(1-adamantyl)propan-2-yloxy]-2,2-dimethylbutan-1-ol

C19H34O2 — CID 71030049

IUPAC(1R)-1-[2-(1-adamantyl)propan-2-yloxy]-2,2-dimethylbutan-1-ol
SMILESCCC(C)(C)[C@H](O)OC(C)(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H34O2/c1-6-17(2,3)16(20)21-18(4,5)19-10-13-7-14(11-19)9-15(8-13)12-19/h13-16,20H,6-12H2,1-5H3/t13?,14?,15?,16-,19?/m1/s1
InChIKeyJSZUTIHQRUARHY-LZUXJJCOSA-N
MW294.48 g/mol
LogP4.75
Rot. Bonds5

About (1R)-1-[2-(1-adamantyl)propan-2-yloxy]-2,2-dimethylbutan-1-ol

(1R)-1-[2-(1-adamantyl)propan-2-yloxy]-2,2-dimethylbutan-1-ol (PubChem CID 71030049) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is (1R)-1-[2-(1-adamantyl)propan-2-yloxy]-2,2-dimethylbutan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-(1-adamantyl)propan-2-yloxy]-2,2-dimethylbutan-1-ol
PubChem CID71030049
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name(1R)-1-[2-(1-adamantyl)propan-2-yloxy]-2,2-dimethylbutan-1-ol
SMILESCCC(C)(C)[C@H](O)OC(C)(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H34O2/c1-6-17(2,3)16(20)21-18(4,5)19-10-13-7-14(11-19)9-15(8-13)12-19/h13-16,20H,6-12H2,1-5H3/t13?,14?,15?,16-,19?/m1/s1
InChIKeyJSZUTIHQRUARHY-LZUXJJCOSA-N
XLogP4.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(1-adamantyl)propan-2-yloxy]-2,2-dimethylbutan-1-ol?
The IUPAC name of (1R)-1-[2-(1-adamantyl)propan-2-yloxy]-2,2-dimethylbutan-1-ol (CID 71030049) is (1R)-1-[2-(1-adamantyl)propan-2-yloxy]-2,2-dimethylbutan-1-ol.
What is the SMILES notation for (1R)-1-[2-(1-adamantyl)propan-2-yloxy]-2,2-dimethylbutan-1-ol?
The canonical SMILES for (1R)-1-[2-(1-adamantyl)propan-2-yloxy]-2,2-dimethylbutan-1-ol is CCC(C)(C)[C@H](O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (1R)-1-[2-(1-adamantyl)propan-2-yloxy]-2,2-dimethylbutan-1-ol?
The InChIKey is JSZUTIHQRUARHY-LZUXJJCOSA-N. The full InChI is InChI=1S/C19H34O2/c1-6-17(2,3)16(20)21-18(4,5)19-10-13-7-14(11-19)9-15(8-13)12-19/h13-16,20H,6-12H2,1-5H3/t13?,14?,15?,16-,19?/m1/s1.
What are the key properties of (1R)-1-[2-(1-adamantyl)propan-2-yloxy]-2,2-dimethylbutan-1-ol?
(1R)-1-[2-(1-adamantyl)propan-2-yloxy]-2,2-dimethylbutan-1-ol has a molecular weight of 294.48 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(1-adamantyl)propan-2-yloxy]-2,2-dimethylbutan-1-ol is sourced from PubChem (CID 71030049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).