(5R,7R)-3-chloroadamantan-1-ol

C10H15ClO — CID 6932408

IUPAC(5R,7R)-3-chloroadamantan-1-ol
SMILESOC12C[C@H]3C[C@H](C1)CC(Cl)(C3)C2
InChIInChI=1S/C10H15ClO/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8,12H,1-6H2/t7-,8-,9?,10?/m0/s1
InChIKeyQUHCTPODJFWZRX-DKEVHCRPSA-N
MW186.68 g/mol
LogP2.31
Rot. Bonds

About (5R,7R)-3-chloroadamantan-1-ol

(5R,7R)-3-chloroadamantan-1-ol (PubChem CID 6932408) has the molecular formula C10H15ClO and a molecular weight of 186.68 g/mol. Its IUPAC name is (5R,7R)-3-chloroadamantan-1-ol.

Molecular Properties

Compound Name(5R,7R)-3-chloroadamantan-1-ol
PubChem CID6932408
Molecular FormulaC10H15ClO
Molecular Weight186.68 g/mol
Exact Mass186.08
IUPAC Name(5R,7R)-3-chloroadamantan-1-ol
SMILESOC12C[C@H]3C[C@H](C1)CC(Cl)(C3)C2
InChIInChI=1S/C10H15ClO/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8,12H,1-6H2/t7-,8-,9?,10?/m0/s1
InChIKeyQUHCTPODJFWZRX-DKEVHCRPSA-N
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.68
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R,7R)-3-chloroadamantan-1-ol?
The IUPAC name of (5R,7R)-3-chloroadamantan-1-ol (CID 6932408) is (5R,7R)-3-chloroadamantan-1-ol.
What is the SMILES notation for (5R,7R)-3-chloroadamantan-1-ol?
The canonical SMILES for (5R,7R)-3-chloroadamantan-1-ol is OC12C[C@H]3C[C@H](C1)CC(Cl)(C3)C2.
What is the InChIKey of (5R,7R)-3-chloroadamantan-1-ol?
The InChIKey is QUHCTPODJFWZRX-DKEVHCRPSA-N. The full InChI is InChI=1S/C10H15ClO/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8,12H,1-6H2/t7-,8-,9?,10?/m0/s1.
What are the key properties of (5R,7R)-3-chloroadamantan-1-ol?
(5R,7R)-3-chloroadamantan-1-ol has a molecular weight of 186.68 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-3-chloroadamantan-1-ol is sourced from PubChem (CID 6932408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).