(4R)-1-bromoocta-1,2-dien-4-ol

C8H13BrO — CID 15399654

IUPAC(4R)-1-bromoocta-1,2-dien-4-ol
SMILESCCCC[C@@H](O)C=C=CBr
InChIInChI=1S/C8H13BrO/c1-2-3-5-8(10)6-4-7-9/h6-8,10H,2-3,5H2,1H3/t4?,8-/m1/s1
InChIKeyNFNDUTVSFMFOAB-YJEMDFIKSA-N
MW205.09 g/mol
LogP2.60
Rot. Bonds4

About (4R)-1-bromoocta-1,2-dien-4-ol

(4R)-1-bromoocta-1,2-dien-4-ol (PubChem CID 15399654) has the molecular formula C8H13BrO and a molecular weight of 205.09 g/mol. Its IUPAC name is (4R)-1-bromoocta-1,2-dien-4-ol.

Molecular Properties

Compound Name(4R)-1-bromoocta-1,2-dien-4-ol
PubChem CID15399654
Molecular FormulaC8H13BrO
Molecular Weight205.09 g/mol
Exact Mass204.01
IUPAC Name(4R)-1-bromoocta-1,2-dien-4-ol
SMILESCCCC[C@@H](O)C=C=CBr
InChIInChI=1S/C8H13BrO/c1-2-3-5-8(10)6-4-7-9/h6-8,10H,2-3,5H2,1H3/t4?,8-/m1/s1
InChIKeyNFNDUTVSFMFOAB-YJEMDFIKSA-N
XLogP2.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-bromoocta-1,2-dien-4-ol?
The IUPAC name of (4R)-1-bromoocta-1,2-dien-4-ol (CID 15399654) is (4R)-1-bromoocta-1,2-dien-4-ol.
What is the SMILES notation for (4R)-1-bromoocta-1,2-dien-4-ol?
The canonical SMILES for (4R)-1-bromoocta-1,2-dien-4-ol is CCCC[C@@H](O)C=C=CBr.
What is the InChIKey of (4R)-1-bromoocta-1,2-dien-4-ol?
The InChIKey is NFNDUTVSFMFOAB-YJEMDFIKSA-N. The full InChI is InChI=1S/C8H13BrO/c1-2-3-5-8(10)6-4-7-9/h6-8,10H,2-3,5H2,1H3/t4?,8-/m1/s1.
What are the key properties of (4R)-1-bromoocta-1,2-dien-4-ol?
(4R)-1-bromoocta-1,2-dien-4-ol has a molecular weight of 205.09 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-bromoocta-1,2-dien-4-ol is sourced from PubChem (CID 15399654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).