1-bromo-5-[(3Z)-penta-1,3-dien-3-yl]oxypentane

C10H17BrO — CID 58983776

IUPAC1-bromo-5-[(3Z)-penta-1,3-dien-3-yl]oxypentane
SMILESC=C/C(=C/C)OCCCCCBr
InChIInChI=1S/C10H17BrO/c1-3-10(4-2)12-9-7-5-6-8-11/h3-4H,1,5-9H2,2H3/b10-4-
InChIKeyYGXJHSCWOVEUAE-WMZJFQQLSA-N
MW233.15 g/mol
LogP3.66
Rot. Bonds7

About 1-bromo-5-[(3Z)-penta-1,3-dien-3-yl]oxypentane

1-bromo-5-[(3Z)-penta-1,3-dien-3-yl]oxypentane (PubChem CID 58983776) has the molecular formula C10H17BrO and a molecular weight of 233.15 g/mol. Its IUPAC name is 1-bromo-5-[(3Z)-penta-1,3-dien-3-yl]oxypentane.

Molecular Properties

Compound Name1-bromo-5-[(3Z)-penta-1,3-dien-3-yl]oxypentane
PubChem CID58983776
Molecular FormulaC10H17BrO
Molecular Weight233.15 g/mol
Exact Mass232.05
IUPAC Name1-bromo-5-[(3Z)-penta-1,3-dien-3-yl]oxypentane
SMILESC=C/C(=C/C)OCCCCCBr
InChIInChI=1S/C10H17BrO/c1-3-10(4-2)12-9-7-5-6-8-11/h3-4H,1,5-9H2,2H3/b10-4-
InChIKeyYGXJHSCWOVEUAE-WMZJFQQLSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-bromo-6-[(3E)-penta-1,3-dien-3-yl]oxyhexane
CID 58983724
(3Z)-3-(3-bromopropoxy)penta-1,3-diene
CID 58983829
1-bromo-8-[(3E)-penta-1,3-dien-3-yl]oxyoctane
CID 58983893
1-Bromo-6-penta-1,3-dien-3-yloxyhexane
CID 72480855
1-Bromo-5-penta-1,3-dien-3-yloxypentane
CID 72480874
(1E,3Z)-1-bromo-4-ethoxyhexa-1,3,5-triene
CID 88601656
(3E,5Z)-4-(2-bromoethoxy)hepta-1,3,5-triene
CID 89282757
(3E,5Z)-4-pentoxyhepta-1,3,5-triene
CID 90433925
3-Pentoxyhexa-1,3,5-triene
CID 91325693
1-(4-Bromobutoxy)hexa-2,4-diene
CID 139648536
(3E)-3-(3-bromopropoxy)hexa-1,3,5-triene
CID 142003901
(3E)-3-pentoxyhexa-1,3,5-triene
CID 143473130

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-[(3Z)-penta-1,3-dien-3-yl]oxypentane?
The IUPAC name of 1-bromo-5-[(3Z)-penta-1,3-dien-3-yl]oxypentane (CID 58983776) is 1-bromo-5-[(3Z)-penta-1,3-dien-3-yl]oxypentane.
What is the SMILES notation for 1-bromo-5-[(3Z)-penta-1,3-dien-3-yl]oxypentane?
The canonical SMILES for 1-bromo-5-[(3Z)-penta-1,3-dien-3-yl]oxypentane is C=C/C(=C/C)OCCCCCBr.
What is the InChIKey of 1-bromo-5-[(3Z)-penta-1,3-dien-3-yl]oxypentane?
The InChIKey is YGXJHSCWOVEUAE-WMZJFQQLSA-N. The full InChI is InChI=1S/C10H17BrO/c1-3-10(4-2)12-9-7-5-6-8-11/h3-4H,1,5-9H2,2H3/b10-4-.
What are the key properties of 1-bromo-5-[(3Z)-penta-1,3-dien-3-yl]oxypentane?
1-bromo-5-[(3Z)-penta-1,3-dien-3-yl]oxypentane has a molecular weight of 233.15 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-[(3Z)-penta-1,3-dien-3-yl]oxypentane is sourced from PubChem (CID 58983776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).