(4R,5S)-5-(2,2-dibromoethenyl)oct-7-en-4-ol

C10H16Br2O — CID 102410953

IUPAC(4R,5S)-5-(2,2-dibromoethenyl)oct-7-en-4-ol
SMILESC=CCC(C=C(Br)Br)[C@H](O)CCC
InChIInChI=1S/C10H16Br2O/c1-3-5-8(7-10(11)12)9(13)6-4-2/h3,7-9,13H,1,4-6H2,2H3/t8?,9-/m1/s1
InChIKeyMYPVBHTVQHPXHY-YGPZHTELSA-N
MW312.05 g/mol
LogP3.97
Rot. Bonds6

About (4R,5S)-5-(2,2-dibromoethenyl)oct-7-en-4-ol

(4R,5S)-5-(2,2-dibromoethenyl)oct-7-en-4-ol (PubChem CID 102410953) has the molecular formula C10H16Br2O and a molecular weight of 312.05 g/mol. Its IUPAC name is (4R,5S)-5-(2,2-dibromoethenyl)oct-7-en-4-ol.

Molecular Properties

Compound Name(4R,5S)-5-(2,2-dibromoethenyl)oct-7-en-4-ol
PubChem CID102410953
Molecular FormulaC10H16Br2O
Molecular Weight312.05 g/mol
Exact Mass309.96
IUPAC Name(4R,5S)-5-(2,2-dibromoethenyl)oct-7-en-4-ol
SMILESC=CCC(C=C(Br)Br)[C@H](O)CCC
InChIInChI=1S/C10H16Br2O/c1-3-5-8(7-10(11)12)9(13)6-4-2/h3,7-9,13H,1,4-6H2,2H3/t8?,9-/m1/s1
InChIKeyMYPVBHTVQHPXHY-YGPZHTELSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.05
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-(2,2-dibromoethenyl)oct-7-en-4-ol?
The IUPAC name of (4R,5S)-5-(2,2-dibromoethenyl)oct-7-en-4-ol (CID 102410953) is (4R,5S)-5-(2,2-dibromoethenyl)oct-7-en-4-ol.
What is the SMILES notation for (4R,5S)-5-(2,2-dibromoethenyl)oct-7-en-4-ol?
The canonical SMILES for (4R,5S)-5-(2,2-dibromoethenyl)oct-7-en-4-ol is C=CCC(C=C(Br)Br)[C@H](O)CCC.
What is the InChIKey of (4R,5S)-5-(2,2-dibromoethenyl)oct-7-en-4-ol?
The InChIKey is MYPVBHTVQHPXHY-YGPZHTELSA-N. The full InChI is InChI=1S/C10H16Br2O/c1-3-5-8(7-10(11)12)9(13)6-4-2/h3,7-9,13H,1,4-6H2,2H3/t8?,9-/m1/s1.
What are the key properties of (4R,5S)-5-(2,2-dibromoethenyl)oct-7-en-4-ol?
(4R,5S)-5-(2,2-dibromoethenyl)oct-7-en-4-ol has a molecular weight of 312.05 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-(2,2-dibromoethenyl)oct-7-en-4-ol is sourced from PubChem (CID 102410953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).