2-bromoheptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane

C18H23Br — CID 12636488

IUPAC2-bromoheptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane
SMILESBrC12C3CC4CC5C3CC3C6CC(CC31)CC2(C4)C56
InChIInChI=1S/C18H23Br/c19-18-14-3-8-1-12-10(14)5-11-13-2-9(4-15(11)18)7-17(18,6-8)16(12)13/h8-16H,1-7H2
InChIKeyURAUQGBGHAWEIU-UHFFFAOYSA-N
MW319.29 g/mol
LogP4.48
Rot. Bonds

About 2-bromoheptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane

2-bromoheptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane (PubChem CID 12636488) has the molecular formula C18H23Br and a molecular weight of 319.29 g/mol. Its IUPAC name is 2-bromoheptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane.

Molecular Properties

Compound Name2-bromoheptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane
PubChem CID12636488
Molecular FormulaC18H23Br
Molecular Weight319.29 g/mol
Exact Mass318.10
IUPAC Name2-bromoheptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane
SMILESBrC12C3CC4CC5C3CC3C6CC(CC31)CC2(C4)C56
InChIInChI=1S/C18H23Br/c19-18-14-3-8-1-12-10(14)5-11-13-2-9(4-15(11)18)7-17(18,6-8)16(12)13/h8-16H,1-7H2
InChIKeyURAUQGBGHAWEIU-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Bromodiamantane
CID 12768501
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
2-Bromononacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosane
CID 73236943
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-bromoheptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane?
The IUPAC name of 2-bromoheptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane (CID 12636488) is 2-bromoheptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane.
What is the SMILES notation for 2-bromoheptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane?
The canonical SMILES for 2-bromoheptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane is BrC12C3CC4CC5C3CC3C6CC(CC31)CC2(C4)C56.
What is the InChIKey of 2-bromoheptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane?
The InChIKey is URAUQGBGHAWEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Br/c19-18-14-3-8-1-12-10(14)5-11-13-2-9(4-15(11)18)7-17(18,6-8)16(12)13/h8-16H,1-7H2.
What are the key properties of 2-bromoheptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane?
2-bromoheptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane has a molecular weight of 319.29 g/mol, XLogP of 4.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoheptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane is sourced from PubChem (CID 12636488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).