2-bromononacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosane

C22H27Br — CID 73236943

IUPAC2-bromononacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosane
SMILESBrC12C3CC4CC5C3CC36CC7CC8C(CC1(C4)C5C83)C(C7)C62
InChIInChI=1S/C22H27Br/c23-22-16-4-10-2-12-15(16)7-20-5-9-1-11-14(13(3-9)19(20)22)8-21(22,6-10)18(12)17(11)20/h9-19H,1-8H2
InChIKeyZAXUXSWGDKNOEA-UHFFFAOYSA-N
MW371.36 g/mol
LogP5.11
Rot. Bonds

About 2-bromononacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosane

2-bromononacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosane (PubChem CID 73236943) has the molecular formula C22H27Br and a molecular weight of 371.36 g/mol. Its IUPAC name is 2-bromononacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosane.

Molecular Properties

Compound Name2-bromononacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosane
PubChem CID73236943
Molecular FormulaC22H27Br
Molecular Weight371.36 g/mol
Exact Mass370.13
IUPAC Name2-bromononacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosane
SMILESBrC12C3CC4CC5C3CC36CC7CC8C(CC1(C4)C5C83)C(C7)C62
InChIInChI=1S/C22H27Br/c23-22-16-4-10-2-12-15(16)7-20-5-9-1-11-14(13(3-9)19(20)22)8-21(22,6-10)18(12)17(11)20/h9-19H,1-8H2
InChIKeyZAXUXSWGDKNOEA-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.36
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-bromononacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosane with MolForge

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Related Compounds

1-Bromodiamantane
CID 12768501
2-Bromotriamantane
CID 12636488
3,3'-Dibromo-1,1'-biadamantane
CID 22660516
4-Bromodiamantane
CID 13022287
1,6-Dibromodiamantane
CID 13022288
1,4-Dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 13022289
4,9-Dibromodiamantane
CID 13022290
8,11-Dibromopentacyclo[8.4.0.02,7.03,12.04,9]tetradecane
CID 102112424
1,2-Dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 134847762
2-Bromoundecacyclo[9.9.1.11,17.13,7.13,19.15,9.15,15.02,9.04,17.013,23.013,25]hexacosane
CID 134939591
7-Bromoundecacyclo[9.9.1.11,17.13,7.13,19.15,9.15,15.02,9.04,17.013,23.013,25]hexacosane
CID 134939592
(1S,2S,3S,4S,7R,8S,9S,10S,11R,12R)-8,11-dibromopentacyclo[8.4.0.02,7.03,12.04,9]tetradecane
CID 139191496

Frequently Asked Questions

What is the IUPAC name of 2-bromononacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosane?
The IUPAC name of 2-bromononacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosane (CID 73236943) is 2-bromononacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosane.
What is the SMILES notation for 2-bromononacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosane?
The canonical SMILES for 2-bromononacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosane is BrC12C3CC4CC5C3CC36CC7CC8C(CC1(C4)C5C83)C(C7)C62.
What is the InChIKey of 2-bromononacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosane?
The InChIKey is ZAXUXSWGDKNOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Br/c23-22-16-4-10-2-12-15(16)7-20-5-9-1-11-14(13(3-9)19(20)22)8-21(22,6-10)18(12)17(11)20/h9-19H,1-8H2.
What are the key properties of 2-bromononacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosane?
2-bromononacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosane has a molecular weight of 371.36 g/mol, XLogP of 5.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromononacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosane is sourced from PubChem (CID 73236943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).