8,11-dibromopentacyclo[8.4.0.02,7.03,12.04,9]tetradecane

C14H18Br2 — CID 102112424

IUPAC8,11-dibromopentacyclo[8.4.0.02,7.03,12.04,9]tetradecane
SMILESBrC1C2CCC3C1C1C(Br)C4CCC1C2C43
InChIInChI=1S/C14H18Br2/c15-13-7-3-1-5-9-8-4-2-6(10(7)9)12(11(5)13)14(8)16/h5-14H,1-4H2
InChIKeyZVUKOXVBWQTNPV-UHFFFAOYSA-N
MW346.11 g/mol
LogP4.07
Rot. Bonds

About 8,11-dibromopentacyclo[8.4.0.02,7.03,12.04,9]tetradecane

8,11-dibromopentacyclo[8.4.0.02,7.03,12.04,9]tetradecane (PubChem CID 102112424) has the molecular formula C14H18Br2 and a molecular weight of 346.11 g/mol. Its IUPAC name is 8,11-dibromopentacyclo[8.4.0.02,7.03,12.04,9]tetradecane.

Molecular Properties

Compound Name8,11-dibromopentacyclo[8.4.0.02,7.03,12.04,9]tetradecane
PubChem CID102112424
Molecular FormulaC14H18Br2
Molecular Weight346.11 g/mol
Exact Mass343.98
IUPAC Name8,11-dibromopentacyclo[8.4.0.02,7.03,12.04,9]tetradecane
SMILESBrC1C2CCC3C1C1C(Br)C4CCC1C2C43
InChIInChI=1S/C14H18Br2/c15-13-7-3-1-5-9-8-4-2-6(10(7)9)12(11(5)13)14(8)16/h5-14H,1-4H2
InChIKeyZVUKOXVBWQTNPV-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.11
LogP ≤ 54.07
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
2-Bromo-2-methyladamantane
CID 21634865
2-Bromotriamantane
CID 12636488
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
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
CID 135082647
CID 135082647
(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 8,11-dibromopentacyclo[8.4.0.02,7.03,12.04,9]tetradecane?
The IUPAC name of 8,11-dibromopentacyclo[8.4.0.02,7.03,12.04,9]tetradecane (CID 102112424) is 8,11-dibromopentacyclo[8.4.0.02,7.03,12.04,9]tetradecane.
What is the SMILES notation for 8,11-dibromopentacyclo[8.4.0.02,7.03,12.04,9]tetradecane?
The canonical SMILES for 8,11-dibromopentacyclo[8.4.0.02,7.03,12.04,9]tetradecane is BrC1C2CCC3C1C1C(Br)C4CCC1C2C43.
What is the InChIKey of 8,11-dibromopentacyclo[8.4.0.02,7.03,12.04,9]tetradecane?
The InChIKey is ZVUKOXVBWQTNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2/c15-13-7-3-1-5-9-8-4-2-6(10(7)9)12(11(5)13)14(8)16/h5-14H,1-4H2.
What are the key properties of 8,11-dibromopentacyclo[8.4.0.02,7.03,12.04,9]tetradecane?
8,11-dibromopentacyclo[8.4.0.02,7.03,12.04,9]tetradecane has a molecular weight of 346.11 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11-dibromopentacyclo[8.4.0.02,7.03,12.04,9]tetradecane is sourced from PubChem (CID 102112424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).