(Z)-3-[2-(ethylamino)ethyl]-5-[(Z)-prop-1-enyl]oct-5-en-2-ol

C15H29NO — CID 143375323

IUPAC(Z)-3-[2-(ethylamino)ethyl]-5-[(Z)-prop-1-enyl]oct-5-en-2-ol
SMILESC/C=C\C(=C/CC)CC(CCNCC)C(C)O
InChIInChI=1S/C15H29NO/c1-5-8-14(9-6-2)12-15(13(4)17)10-11-16-7-3/h5,8-9,13,15-17H,6-7,10-12H2,1-4H3/b8-5-,14-9+
InChIKeyCDUFKZOSPLQXGL-BMCGKFIOSA-N
MW239.40 g/mol
LogP3.29
Rot. Bonds9

About (Z)-3-[2-(ethylamino)ethyl]-5-[(Z)-prop-1-enyl]oct-5-en-2-ol

(Z)-3-[2-(ethylamino)ethyl]-5-[(Z)-prop-1-enyl]oct-5-en-2-ol (PubChem CID 143375323) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (Z)-3-[2-(ethylamino)ethyl]-5-[(Z)-prop-1-enyl]oct-5-en-2-ol.

Molecular Properties

Compound Name(Z)-3-[2-(ethylamino)ethyl]-5-[(Z)-prop-1-enyl]oct-5-en-2-ol
PubChem CID143375323
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(Z)-3-[2-(ethylamino)ethyl]-5-[(Z)-prop-1-enyl]oct-5-en-2-ol
SMILESC/C=C\C(=C/CC)CC(CCNCC)C(C)O
InChIInChI=1S/C15H29NO/c1-5-8-14(9-6-2)12-15(13(4)17)10-11-16-7-3/h5,8-9,13,15-17H,6-7,10-12H2,1-4H3/b8-5-,14-9+
InChIKeyCDUFKZOSPLQXGL-BMCGKFIOSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[2-(ethylamino)ethyl]-5-[(Z)-prop-1-enyl]oct-5-en-2-ol?
The IUPAC name of (Z)-3-[2-(ethylamino)ethyl]-5-[(Z)-prop-1-enyl]oct-5-en-2-ol (CID 143375323) is (Z)-3-[2-(ethylamino)ethyl]-5-[(Z)-prop-1-enyl]oct-5-en-2-ol.
What is the SMILES notation for (Z)-3-[2-(ethylamino)ethyl]-5-[(Z)-prop-1-enyl]oct-5-en-2-ol?
The canonical SMILES for (Z)-3-[2-(ethylamino)ethyl]-5-[(Z)-prop-1-enyl]oct-5-en-2-ol is C/C=C\C(=C/CC)CC(CCNCC)C(C)O.
What is the InChIKey of (Z)-3-[2-(ethylamino)ethyl]-5-[(Z)-prop-1-enyl]oct-5-en-2-ol?
The InChIKey is CDUFKZOSPLQXGL-BMCGKFIOSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-8-14(9-6-2)12-15(13(4)17)10-11-16-7-3/h5,8-9,13,15-17H,6-7,10-12H2,1-4H3/b8-5-,14-9+.
What are the key properties of (Z)-3-[2-(ethylamino)ethyl]-5-[(Z)-prop-1-enyl]oct-5-en-2-ol?
(Z)-3-[2-(ethylamino)ethyl]-5-[(Z)-prop-1-enyl]oct-5-en-2-ol has a molecular weight of 239.40 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[2-(ethylamino)ethyl]-5-[(Z)-prop-1-enyl]oct-5-en-2-ol is sourced from PubChem (CID 143375323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).