1-(1-adamantyl)-2-cycloheptyloxyethanol

C19H32O2 — CID 63466841

IUPAC1-(1-adamantyl)-2-cycloheptyloxyethanol
SMILESOC(COC1CCCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H32O2/c20-18(13-21-17-5-3-1-2-4-6-17)19-10-14-7-15(11-19)9-16(8-14)12-19/h14-18,20H,1-13H2
InChIKeyNCGKKKYTVZJQQN-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.30
Rot. Bonds4

About 1-(1-adamantyl)-2-cycloheptyloxyethanol

1-(1-adamantyl)-2-cycloheptyloxyethanol (PubChem CID 63466841) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-cycloheptyloxyethanol.

Molecular Properties

Compound Name1-(1-adamantyl)-2-cycloheptyloxyethanol
PubChem CID63466841
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name1-(1-adamantyl)-2-cycloheptyloxyethanol
SMILESOC(COC1CCCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H32O2/c20-18(13-21-17-5-3-1-2-4-6-17)19-10-14-7-15(11-19)9-16(8-14)12-19/h14-18,20H,1-13H2
InChIKeyNCGKKKYTVZJQQN-UHFFFAOYSA-N
XLogP4.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-cycloheptyloxyethanol?
The IUPAC name of 1-(1-adamantyl)-2-cycloheptyloxyethanol (CID 63466841) is 1-(1-adamantyl)-2-cycloheptyloxyethanol.
What is the SMILES notation for 1-(1-adamantyl)-2-cycloheptyloxyethanol?
The canonical SMILES for 1-(1-adamantyl)-2-cycloheptyloxyethanol is OC(COC1CCCCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-cycloheptyloxyethanol?
The InChIKey is NCGKKKYTVZJQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c20-18(13-21-17-5-3-1-2-4-6-17)19-10-14-7-15(11-19)9-16(8-14)12-19/h14-18,20H,1-13H2.
What are the key properties of 1-(1-adamantyl)-2-cycloheptyloxyethanol?
1-(1-adamantyl)-2-cycloheptyloxyethanol has a molecular weight of 292.46 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-cycloheptyloxyethanol is sourced from PubChem (CID 63466841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).