(Z)-21-bromohenicos-11-en-1-ol

C21H41BrO — CID 134982012

IUPAC(Z)-21-bromohenicos-11-en-1-ol
SMILESOCCCCCCCCCC/C=C\CCCCCCCCCBr
InChIInChI=1S/C21H41BrO/c22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23/h1-2,23H,3-21H2/b2-1-
InChIKeyWLMPTBVMEPZYQR-UPHRSURJSA-N
MW389.46 g/mol
LogP7.56
Rot. Bonds19

About (Z)-21-bromohenicos-11-en-1-ol

(Z)-21-bromohenicos-11-en-1-ol (PubChem CID 134982012) has the molecular formula C21H41BrO and a molecular weight of 389.46 g/mol. Its IUPAC name is (Z)-21-bromohenicos-11-en-1-ol.

Molecular Properties

Compound Name(Z)-21-bromohenicos-11-en-1-ol
PubChem CID134982012
Molecular FormulaC21H41BrO
Molecular Weight389.46 g/mol
Exact Mass388.23
IUPAC Name(Z)-21-bromohenicos-11-en-1-ol
SMILESOCCCCCCCCCC/C=C\CCCCCCCCCBr
InChIInChI=1S/C21H41BrO/c22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23/h1-2,23H,3-21H2/b2-1-
InChIKeyWLMPTBVMEPZYQR-UPHRSURJSA-N
XLogP7.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-12-bromododec-3-en-1-ol
CID 163205087
(E)-17-bromoheptadec-3-en-1-ol
CID 163204836
hexadec-8-ene-1,16-diol
CID 54395986
1,25-dibromopentacos-12-ene
CID 168864699
(3Z,6Z,9Z,12Z,15Z,18Z)-28-bromooctacosa-3,6,9,12,15,18-hexaene;(10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-10,13,16,19,22,25-hexaen-1-ol
CID 160855326
(7Z,11Z)-octadeca-7,11-diene-1,18-diol
CID 171904791
16-bromohexadecan-1-ol
CID 2757013
7-bromohept-2-en-1-ol
CID 85361103
9-bromo-1-iodonon-2-ene
CID 171472261
1,12-dibromododec-2-ene
CID 54440565
(E)-7-bromohept-3-en-1-ol
CID 163205000
(E)-hexadec-1-ene-1,16-diol
CID 57427575

Frequently Asked Questions

What is the IUPAC name of (Z)-21-bromohenicos-11-en-1-ol?
The IUPAC name of (Z)-21-bromohenicos-11-en-1-ol (CID 134982012) is (Z)-21-bromohenicos-11-en-1-ol.
What is the SMILES notation for (Z)-21-bromohenicos-11-en-1-ol?
The canonical SMILES for (Z)-21-bromohenicos-11-en-1-ol is OCCCCCCCCCC/C=C\CCCCCCCCCBr.
What is the InChIKey of (Z)-21-bromohenicos-11-en-1-ol?
The InChIKey is WLMPTBVMEPZYQR-UPHRSURJSA-N. The full InChI is InChI=1S/C21H41BrO/c22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23/h1-2,23H,3-21H2/b2-1-.
What are the key properties of (Z)-21-bromohenicos-11-en-1-ol?
(Z)-21-bromohenicos-11-en-1-ol has a molecular weight of 389.46 g/mol, XLogP of 7.56, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-21-bromohenicos-11-en-1-ol is sourced from PubChem (CID 134982012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).