(10S,20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dien-1-ol

C33H65NO — CID 146462802

IUPAC(10S,20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dien-1-ol
SMILESCCCCC/C=C\C/C=C\CCCCCCCCC[C@@H](CCCCCCCCCO)CCN(C)C
InChIInChI=1S/C33H65NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-28-33(30-31-34(2)3)29-26-23-20-18-21-24-27-32-35/h8-9,11-12,33,35H,4-7,10,13-32H2,1-3H3/b9-8-,12-11-/t33-/m0/s1
InChIKeyWOKQSJQHDBMTQN-IDYWQZQPSA-N
MW491.89 g/mol
LogP10.26
Rot. Bonds28

About (10S,20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dien-1-ol

(10S,20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dien-1-ol (PubChem CID 146462802) has the molecular formula C33H65NO and a molecular weight of 491.89 g/mol. Its IUPAC name is (10S,20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dien-1-ol.

Molecular Properties

Compound Name(10S,20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dien-1-ol
PubChem CID146462802
Molecular FormulaC33H65NO
Molecular Weight491.89 g/mol
Exact Mass491.51
IUPAC Name(10S,20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dien-1-ol
SMILESCCCCC/C=C\C/C=C\CCCCCCCCC[C@@H](CCCCCCCCCO)CCN(C)C
InChIInChI=1S/C33H65NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-28-33(30-31-34(2)3)29-26-23-20-18-21-24-27-32-35/h8-9,11-12,33,35H,4-7,10,13-32H2,1-3H3/b9-8-,12-11-/t33-/m0/s1
InChIKeyWOKQSJQHDBMTQN-IDYWQZQPSA-N
XLogP10.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.89
LogP ≤ 510.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (10S,20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dien-1-ol?
The IUPAC name of (10S,20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dien-1-ol (CID 146462802) is (10S,20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dien-1-ol.
What is the SMILES notation for (10S,20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dien-1-ol?
The canonical SMILES for (10S,20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dien-1-ol is CCCCC/C=C\C/C=C\CCCCCCCCC[C@@H](CCCCCCCCCO)CCN(C)C.
What is the InChIKey of (10S,20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dien-1-ol?
The InChIKey is WOKQSJQHDBMTQN-IDYWQZQPSA-N. The full InChI is InChI=1S/C33H65NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-28-33(30-31-34(2)3)29-26-23-20-18-21-24-27-32-35/h8-9,11-12,33,35H,4-7,10,13-32H2,1-3H3/b9-8-,12-11-/t33-/m0/s1.
What are the key properties of (10S,20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dien-1-ol?
(10S,20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dien-1-ol has a molecular weight of 491.89 g/mol, XLogP of 10.26, 28 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dien-1-ol is sourced from PubChem (CID 146462802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).