1-adamantylmethanol;hydrochloride

C11H19ClO — CID 141053946

IUPAC1-adamantylmethanol;hydrochloride
SMILESCl.OCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H18O.ClH/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11;/h8-10,12H,1-7H2;1H
InChIKeyMGKFRDDBZIWGDY-UHFFFAOYSA-N
MW202.72 g/mol
LogP2.62
Rot. Bonds1

About 1-adamantylmethanol;hydrochloride

1-adamantylmethanol;hydrochloride (PubChem CID 141053946) has the molecular formula C11H19ClO and a molecular weight of 202.72 g/mol. Its IUPAC name is 1-adamantylmethanol;hydrochloride.

Molecular Properties

Compound Name1-adamantylmethanol;hydrochloride
PubChem CID141053946
Molecular FormulaC11H19ClO
Molecular Weight202.72 g/mol
Exact Mass202.11
IUPAC Name1-adamantylmethanol;hydrochloride
SMILESCl.OCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H18O.ClH/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11;/h8-10,12H,1-7H2;1H
InChIKeyMGKFRDDBZIWGDY-UHFFFAOYSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.72
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-adamantylmethanol;hydrochloride?
The IUPAC name of 1-adamantylmethanol;hydrochloride (CID 141053946) is 1-adamantylmethanol;hydrochloride.
What is the SMILES notation for 1-adamantylmethanol;hydrochloride?
The canonical SMILES for 1-adamantylmethanol;hydrochloride is Cl.OCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantylmethanol;hydrochloride?
The InChIKey is MGKFRDDBZIWGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O.ClH/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11;/h8-10,12H,1-7H2;1H.
What are the key properties of 1-adamantylmethanol;hydrochloride?
1-adamantylmethanol;hydrochloride has a molecular weight of 202.72 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantylmethanol;hydrochloride is sourced from PubChem (CID 141053946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).