4-(3-bromopropyl)hepta-1,6-dien-4-ol

C10H17BrO — CID 23007811

IUPAC4-(3-bromopropyl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)CCCBr
InChIInChI=1S/C10H17BrO/c1-3-6-10(12,7-4-2)8-5-9-11/h3-4,12H,1-2,5-9H2
InChIKeyGHDDHBZCQRGIAM-UHFFFAOYSA-N
MW233.15 g/mol
LogP3.04
Rot. Bonds7

About 4-(3-bromopropyl)hepta-1,6-dien-4-ol

4-(3-bromopropyl)hepta-1,6-dien-4-ol (PubChem CID 23007811) has the molecular formula C10H17BrO and a molecular weight of 233.15 g/mol. Its IUPAC name is 4-(3-bromopropyl)hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-(3-bromopropyl)hepta-1,6-dien-4-ol
PubChem CID23007811
Molecular FormulaC10H17BrO
Molecular Weight233.15 g/mol
Exact Mass232.05
IUPAC Name4-(3-bromopropyl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)CCCBr
InChIInChI=1S/C10H17BrO/c1-3-6-10(12,7-4-2)8-5-9-11/h3-4,12H,1-2,5-9H2
InChIKeyGHDDHBZCQRGIAM-UHFFFAOYSA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromopropyl)hepta-1,6-dien-4-ol?
The IUPAC name of 4-(3-bromopropyl)hepta-1,6-dien-4-ol (CID 23007811) is 4-(3-bromopropyl)hepta-1,6-dien-4-ol.
What is the SMILES notation for 4-(3-bromopropyl)hepta-1,6-dien-4-ol?
The canonical SMILES for 4-(3-bromopropyl)hepta-1,6-dien-4-ol is C=CCC(O)(CC=C)CCCBr.
What is the InChIKey of 4-(3-bromopropyl)hepta-1,6-dien-4-ol?
The InChIKey is GHDDHBZCQRGIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrO/c1-3-6-10(12,7-4-2)8-5-9-11/h3-4,12H,1-2,5-9H2.
What are the key properties of 4-(3-bromopropyl)hepta-1,6-dien-4-ol?
4-(3-bromopropyl)hepta-1,6-dien-4-ol has a molecular weight of 233.15 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromopropyl)hepta-1,6-dien-4-ol is sourced from PubChem (CID 23007811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).