(1R,4S,6R,9S)-5,10-bis(bromomethyl)tricyclo[7.1.0.04,6]decane

C12H18Br2 — CID 15466704

IUPAC(1R,4S,6R,9S)-5,10-bis(bromomethyl)tricyclo[7.1.0.04,6]decane
SMILESBrCC1[C@H]2CC[C@H]3C(CBr)[C@H]3CC[C@@H]12
InChIInChI=1S/C12H18Br2/c13-5-11-7-1-2-8-10(12(8)6-14)4-3-9(7)11/h7-12H,1-6H2/t7-,8+,9+,10-,11?,12?
InChIKeyPEDMDZHOSBHAKQ-GEDKWGBFSA-N
MW322.08 g/mol
LogP4.07
Rot. Bonds2

About (1R,4S,6R,9S)-5,10-bis(bromomethyl)tricyclo[7.1.0.04,6]decane

(1R,4S,6R,9S)-5,10-bis(bromomethyl)tricyclo[7.1.0.04,6]decane (PubChem CID 15466704) has the molecular formula C12H18Br2 and a molecular weight of 322.08 g/mol. Its IUPAC name is (1R,4S,6R,9S)-5,10-bis(bromomethyl)tricyclo[7.1.0.04,6]decane.

Molecular Properties

Compound Name(1R,4S,6R,9S)-5,10-bis(bromomethyl)tricyclo[7.1.0.04,6]decane
PubChem CID15466704
Molecular FormulaC12H18Br2
Molecular Weight322.08 g/mol
Exact Mass319.98
IUPAC Name(1R,4S,6R,9S)-5,10-bis(bromomethyl)tricyclo[7.1.0.04,6]decane
SMILESBrCC1[C@H]2CC[C@H]3C(CBr)[C@H]3CC[C@@H]12
InChIInChI=1S/C12H18Br2/c13-5-11-7-1-2-8-10(12(8)6-14)4-3-9(7)11/h7-12H,1-6H2/t7-,8+,9+,10-,11?,12?
InChIKeyPEDMDZHOSBHAKQ-GEDKWGBFSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.08
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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Frequently Asked Questions

What is the IUPAC name of (1R,4S,6R,9S)-5,10-bis(bromomethyl)tricyclo[7.1.0.04,6]decane?
The IUPAC name of (1R,4S,6R,9S)-5,10-bis(bromomethyl)tricyclo[7.1.0.04,6]decane (CID 15466704) is (1R,4S,6R,9S)-5,10-bis(bromomethyl)tricyclo[7.1.0.04,6]decane.
What is the SMILES notation for (1R,4S,6R,9S)-5,10-bis(bromomethyl)tricyclo[7.1.0.04,6]decane?
The canonical SMILES for (1R,4S,6R,9S)-5,10-bis(bromomethyl)tricyclo[7.1.0.04,6]decane is BrCC1[C@H]2CC[C@H]3C(CBr)[C@H]3CC[C@@H]12.
What is the InChIKey of (1R,4S,6R,9S)-5,10-bis(bromomethyl)tricyclo[7.1.0.04,6]decane?
The InChIKey is PEDMDZHOSBHAKQ-GEDKWGBFSA-N. The full InChI is InChI=1S/C12H18Br2/c13-5-11-7-1-2-8-10(12(8)6-14)4-3-9(7)11/h7-12H,1-6H2/t7-,8+,9+,10-,11?,12?.
What are the key properties of (1R,4S,6R,9S)-5,10-bis(bromomethyl)tricyclo[7.1.0.04,6]decane?
(1R,4S,6R,9S)-5,10-bis(bromomethyl)tricyclo[7.1.0.04,6]decane has a molecular weight of 322.08 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,6R,9S)-5,10-bis(bromomethyl)tricyclo[7.1.0.04,6]decane is sourced from PubChem (CID 15466704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).