1-(1-adamantyl)-3-cyclohexylpropan-2-ol

C19H32O — CID 115786207

IUPAC1-(1-adamantyl)-3-cyclohexylpropan-2-ol
SMILESOC(CC1CCCCC1)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H32O/c20-18(9-14-4-2-1-3-5-14)13-19-10-15-6-16(11-19)8-17(7-15)12-19/h14-18,20H,1-13H2
InChIKeyVVTVNRMRUYCSPG-UHFFFAOYSA-N
MW276.46 g/mol
LogP4.92
Rot. Bonds4

About 1-(1-adamantyl)-3-cyclohexylpropan-2-ol

1-(1-adamantyl)-3-cyclohexylpropan-2-ol (PubChem CID 115786207) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-cyclohexylpropan-2-ol.

Molecular Properties

Compound Name1-(1-adamantyl)-3-cyclohexylpropan-2-ol
PubChem CID115786207
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name1-(1-adamantyl)-3-cyclohexylpropan-2-ol
SMILESOC(CC1CCCCC1)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H32O/c20-18(9-14-4-2-1-3-5-14)13-19-10-15-6-16(11-19)8-17(7-15)12-19/h14-18,20H,1-13H2
InChIKeyVVTVNRMRUYCSPG-UHFFFAOYSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.46
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-cyclohexylpropan-2-ol?
The IUPAC name of 1-(1-adamantyl)-3-cyclohexylpropan-2-ol (CID 115786207) is 1-(1-adamantyl)-3-cyclohexylpropan-2-ol.
What is the SMILES notation for 1-(1-adamantyl)-3-cyclohexylpropan-2-ol?
The canonical SMILES for 1-(1-adamantyl)-3-cyclohexylpropan-2-ol is OC(CC1CCCCC1)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-cyclohexylpropan-2-ol?
The InChIKey is VVTVNRMRUYCSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c20-18(9-14-4-2-1-3-5-14)13-19-10-15-6-16(11-19)8-17(7-15)12-19/h14-18,20H,1-13H2.
What are the key properties of 1-(1-adamantyl)-3-cyclohexylpropan-2-ol?
1-(1-adamantyl)-3-cyclohexylpropan-2-ol has a molecular weight of 276.46 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-cyclohexylpropan-2-ol is sourced from PubChem (CID 115786207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).