4-bromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol

C9H9BrO — CID 90482176

IUPAC4-bromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol
SMILESOC1C2C3C4C1C1C2C3C41Br
InChIInChI=1S/C9H9BrO/c10-9-5-2-1-3(5)7(9)4(6(2)9)8(1)11/h1-8,11H
InChIKeyPSNKGCPHSUJJIH-UHFFFAOYSA-N
MW213.07 g/mol
LogP0.86
Rot. Bonds

About 4-bromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol

4-bromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol (PubChem CID 90482176) has the molecular formula C9H9BrO and a molecular weight of 213.07 g/mol. Its IUPAC name is 4-bromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol.

Molecular Properties

Compound Name4-bromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol
PubChem CID90482176
Molecular FormulaC9H9BrO
Molecular Weight213.07 g/mol
Exact Mass211.98
IUPAC Name4-bromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol
SMILESOC1C2C3C4C1C1C2C3C41Br
InChIInChI=1S/C9H9BrO/c10-9-5-2-1-3(5)7(9)4(6(2)9)8(1)11/h1-8,11H
InChIKeyPSNKGCPHSUJJIH-UHFFFAOYSA-N
XLogP0.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,6R,7R,9R)-1,4-dibromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol
CID 6543581
1,4-Dibromopentacyclo[4.3.0.0~2,5~.0~3,8~.0~4,7~]nonan-9-ol
CID 11834598
4-Bromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-1-ol
CID 85768125
(2R,3R,6S,7S,9R)-1,4-dibromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol
CID 98131210
(2R,3S,6S,7S,9R)-1,4-dibromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol
CID 98131211
(2S,3S,6S,7R,9R)-1,4-dibromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol
CID 98131212
(2S,3S,6S,7S,9R)-1,4-dibromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol
CID 98131213
(2R,3S,6R,7S,9R)-4-bromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol
CID 98554835
(2S,3S,6R,7S,9R)-4-bromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol
CID 98554837
(2S,3S,6S,7S,9R)-4-bromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol
CID 98554839
(2R,3R,6R,7R,9R)-1,4-dibromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol
CID 99725827
(2R,3R,6R,7R,9S)-1,4-dibromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol
CID 99725828

Frequently Asked Questions

What is the IUPAC name of 4-bromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol?
The IUPAC name of 4-bromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol (CID 90482176) is 4-bromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol.
What is the SMILES notation for 4-bromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol?
The canonical SMILES for 4-bromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol is OC1C2C3C4C1C1C2C3C41Br.
What is the InChIKey of 4-bromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol?
The InChIKey is PSNKGCPHSUJJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO/c10-9-5-2-1-3(5)7(9)4(6(2)9)8(1)11/h1-8,11H.
What are the key properties of 4-bromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol?
4-bromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol has a molecular weight of 213.07 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromopentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol is sourced from PubChem (CID 90482176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).