(Z)-5-[(5Z,8Z,11Z)-1-[(Z)-but-1-enyl]cyclododeca-2,5,8,11-tetraen-1-yl]pent-4-en-1-ol

C21H30O — CID 71098290

IUPAC(Z)-5-[(5Z,8Z,11Z)-1-[(Z)-but-1-enyl]cyclododeca-2,5,8,11-tetraen-1-yl]pent-4-en-1-ol
SMILESCC/C=C\C1(/C=C\CCCO)C=CC/C=C\C/C=C\C/C=C\1
InChIInChI=1S/C21H30O/c1-2-3-16-21(19-14-11-15-20-22)17-12-9-7-5-4-6-8-10-13-18-21/h3,5-8,12-14,16-19,22H,2,4,9-11,15,20H2,1H3/b7-5-,8-6-,16-3-,17-12-,18-13?,19-14-
InChIKeyBTEOBUVCQJVGBF-AKTPCYSRSA-N
MW298.47 g/mol
LogP5.68
Rot. Bonds6

About (Z)-5-[(5Z,8Z,11Z)-1-[(Z)-but-1-enyl]cyclododeca-2,5,8,11-tetraen-1-yl]pent-4-en-1-ol

(Z)-5-[(5Z,8Z,11Z)-1-[(Z)-but-1-enyl]cyclododeca-2,5,8,11-tetraen-1-yl]pent-4-en-1-ol (PubChem CID 71098290) has the molecular formula C21H30O and a molecular weight of 298.47 g/mol. Its IUPAC name is (Z)-5-[(5Z,8Z,11Z)-1-[(Z)-but-1-enyl]cyclododeca-2,5,8,11-tetraen-1-yl]pent-4-en-1-ol.

Molecular Properties

Compound Name(Z)-5-[(5Z,8Z,11Z)-1-[(Z)-but-1-enyl]cyclododeca-2,5,8,11-tetraen-1-yl]pent-4-en-1-ol
PubChem CID71098290
Molecular FormulaC21H30O
Molecular Weight298.47 g/mol
Exact Mass298.23
IUPAC Name(Z)-5-[(5Z,8Z,11Z)-1-[(Z)-but-1-enyl]cyclododeca-2,5,8,11-tetraen-1-yl]pent-4-en-1-ol
SMILESCC/C=C\C1(/C=C\CCCO)C=CC/C=C\C/C=C\C/C=C\1
InChIInChI=1S/C21H30O/c1-2-3-16-21(19-14-11-15-20-22)17-12-9-7-5-4-6-8-10-13-18-21/h3,5-8,12-14,16-19,22H,2,4,9-11,15,20H2,1H3/b7-5-,8-6-,16-3-,17-12-,18-13?,19-14-
InChIKeyBTEOBUVCQJVGBF-AKTPCYSRSA-N
XLogP5.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-[(5Z,8Z,11Z)-1-[(Z)-but-1-enyl]cyclododeca-2,5,8,11-tetraen-1-yl]pent-4-en-1-ol?
The IUPAC name of (Z)-5-[(5Z,8Z,11Z)-1-[(Z)-but-1-enyl]cyclododeca-2,5,8,11-tetraen-1-yl]pent-4-en-1-ol (CID 71098290) is (Z)-5-[(5Z,8Z,11Z)-1-[(Z)-but-1-enyl]cyclododeca-2,5,8,11-tetraen-1-yl]pent-4-en-1-ol.
What is the SMILES notation for (Z)-5-[(5Z,8Z,11Z)-1-[(Z)-but-1-enyl]cyclododeca-2,5,8,11-tetraen-1-yl]pent-4-en-1-ol?
The canonical SMILES for (Z)-5-[(5Z,8Z,11Z)-1-[(Z)-but-1-enyl]cyclododeca-2,5,8,11-tetraen-1-yl]pent-4-en-1-ol is CC/C=C\C1(/C=C\CCCO)C=CC/C=C\C/C=C\C/C=C\1.
What is the InChIKey of (Z)-5-[(5Z,8Z,11Z)-1-[(Z)-but-1-enyl]cyclododeca-2,5,8,11-tetraen-1-yl]pent-4-en-1-ol?
The InChIKey is BTEOBUVCQJVGBF-AKTPCYSRSA-N. The full InChI is InChI=1S/C21H30O/c1-2-3-16-21(19-14-11-15-20-22)17-12-9-7-5-4-6-8-10-13-18-21/h3,5-8,12-14,16-19,22H,2,4,9-11,15,20H2,1H3/b7-5-,8-6-,16-3-,17-12-,18-13?,19-14-.
What are the key properties of (Z)-5-[(5Z,8Z,11Z)-1-[(Z)-but-1-enyl]cyclododeca-2,5,8,11-tetraen-1-yl]pent-4-en-1-ol?
(Z)-5-[(5Z,8Z,11Z)-1-[(Z)-but-1-enyl]cyclododeca-2,5,8,11-tetraen-1-yl]pent-4-en-1-ol has a molecular weight of 298.47 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[(5Z,8Z,11Z)-1-[(Z)-but-1-enyl]cyclododeca-2,5,8,11-tetraen-1-yl]pent-4-en-1-ol is sourced from PubChem (CID 71098290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).