1-[(1Z)-2-bromocycloocten-1-yl]pentan-1-ol

C13H23BrO — CID 139238751

IUPAC1-[(1Z)-2-bromocycloocten-1-yl]pentan-1-ol
SMILESCCCCC(O)/C1=C(\Br)CCCCCC1
InChIInChI=1S/C13H23BrO/c1-2-3-10-13(15)11-8-6-4-5-7-9-12(11)14/h13,15H,2-10H2,1H3/b12-11-
InChIKeyVWRAAGURBULLAC-QXMHVHEDSA-N
MW275.23 g/mol
LogP4.54
Rot. Bonds4

About 1-[(1Z)-2-bromocycloocten-1-yl]pentan-1-ol

1-[(1Z)-2-bromocycloocten-1-yl]pentan-1-ol (PubChem CID 139238751) has the molecular formula C13H23BrO and a molecular weight of 275.23 g/mol. Its IUPAC name is 1-[(1Z)-2-bromocycloocten-1-yl]pentan-1-ol.

Molecular Properties

Compound Name1-[(1Z)-2-bromocycloocten-1-yl]pentan-1-ol
PubChem CID139238751
Molecular FormulaC13H23BrO
Molecular Weight275.23 g/mol
Exact Mass274.09
IUPAC Name1-[(1Z)-2-bromocycloocten-1-yl]pentan-1-ol
SMILESCCCCC(O)/C1=C(\Br)CCCCCC1
InChIInChI=1S/C13H23BrO/c1-2-3-10-13(15)11-8-6-4-5-7-9-12(11)14/h13,15H,2-10H2,1H3/b12-11-
InChIKeyVWRAAGURBULLAC-QXMHVHEDSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(1Z)-1,2-dipentylcyclononene
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CID 172720711
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bromo(tributyl)phosphanium bromide
CID 11111219
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Frequently Asked Questions

What is the IUPAC name of 1-[(1Z)-2-bromocycloocten-1-yl]pentan-1-ol?
The IUPAC name of 1-[(1Z)-2-bromocycloocten-1-yl]pentan-1-ol (CID 139238751) is 1-[(1Z)-2-bromocycloocten-1-yl]pentan-1-ol.
What is the SMILES notation for 1-[(1Z)-2-bromocycloocten-1-yl]pentan-1-ol?
The canonical SMILES for 1-[(1Z)-2-bromocycloocten-1-yl]pentan-1-ol is CCCCC(O)/C1=C(\Br)CCCCCC1.
What is the InChIKey of 1-[(1Z)-2-bromocycloocten-1-yl]pentan-1-ol?
The InChIKey is VWRAAGURBULLAC-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H23BrO/c1-2-3-10-13(15)11-8-6-4-5-7-9-12(11)14/h13,15H,2-10H2,1H3/b12-11-.
What are the key properties of 1-[(1Z)-2-bromocycloocten-1-yl]pentan-1-ol?
1-[(1Z)-2-bromocycloocten-1-yl]pentan-1-ol has a molecular weight of 275.23 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z)-2-bromocycloocten-1-yl]pentan-1-ol is sourced from PubChem (CID 139238751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).