(4R)-2-bromohepta-1,6-dien-4-ol

C7H11BrO — CID 641244

IUPAC(4R)-2-bromohepta-1,6-dien-4-ol
SMILESC=CC[C@@H](O)CC(=C)Br
InChIInChI=1S/C7H11BrO/c1-3-4-7(9)5-6(2)8/h3,7,9H,1-2,4-5H2/t7-/m1/s1
InChIKeyCQDVLPPJLGRCBK-SSDOTTSWSA-N
MW191.07 g/mol
LogP2.22
Rot. Bonds4

About (4R)-2-bromohepta-1,6-dien-4-ol

(4R)-2-bromohepta-1,6-dien-4-ol (PubChem CID 641244) has the molecular formula C7H11BrO and a molecular weight of 191.07 g/mol. Its IUPAC name is (4R)-2-bromohepta-1,6-dien-4-ol.

Molecular Properties

Compound Name(4R)-2-bromohepta-1,6-dien-4-ol
PubChem CID641244
Molecular FormulaC7H11BrO
Molecular Weight191.07 g/mol
Exact Mass190.00
IUPAC Name(4R)-2-bromohepta-1,6-dien-4-ol
SMILESC=CC[C@@H](O)CC(=C)Br
InChIInChI=1S/C7H11BrO/c1-3-4-7(9)5-6(2)8/h3,7,9H,1-2,4-5H2/t7-/m1/s1
InChIKeyCQDVLPPJLGRCBK-SSDOTTSWSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 52.22
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)-2-bromohepta-1,6-dien-4-ol?
The IUPAC name of (4R)-2-bromohepta-1,6-dien-4-ol (CID 641244) is (4R)-2-bromohepta-1,6-dien-4-ol.
What is the SMILES notation for (4R)-2-bromohepta-1,6-dien-4-ol?
The canonical SMILES for (4R)-2-bromohepta-1,6-dien-4-ol is C=CC[C@@H](O)CC(=C)Br.
What is the InChIKey of (4R)-2-bromohepta-1,6-dien-4-ol?
The InChIKey is CQDVLPPJLGRCBK-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11BrO/c1-3-4-7(9)5-6(2)8/h3,7,9H,1-2,4-5H2/t7-/m1/s1.
What are the key properties of (4R)-2-bromohepta-1,6-dien-4-ol?
(4R)-2-bromohepta-1,6-dien-4-ol has a molecular weight of 191.07 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-bromohepta-1,6-dien-4-ol is sourced from PubChem (CID 641244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).