(3Z,5Z)-3-ethyl-4-(ethylamino)hepta-3,5-dien-1-ol

C11H21NO — CID 143063264

IUPAC(3Z,5Z)-3-ethyl-4-(ethylamino)hepta-3,5-dien-1-ol
SMILESC/C=C\C(NCC)=C(/CC)CCO
InChIInChI=1S/C11H21NO/c1-4-7-11(12-6-3)10(5-2)8-9-13/h4,7,12-13H,5-6,8-9H2,1-3H3/b7-4-,11-10-
InChIKeyGIKKVMQZEDNDGK-ZDXSPKKTSA-N
MW183.30 g/mol
LogP2.22
Rot. Bonds6

About (3Z,5Z)-3-ethyl-4-(ethylamino)hepta-3,5-dien-1-ol

(3Z,5Z)-3-ethyl-4-(ethylamino)hepta-3,5-dien-1-ol (PubChem CID 143063264) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is (3Z,5Z)-3-ethyl-4-(ethylamino)hepta-3,5-dien-1-ol.

Molecular Properties

Compound Name(3Z,5Z)-3-ethyl-4-(ethylamino)hepta-3,5-dien-1-ol
PubChem CID143063264
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name(3Z,5Z)-3-ethyl-4-(ethylamino)hepta-3,5-dien-1-ol
SMILESC/C=C\C(NCC)=C(/CC)CCO
InChIInChI=1S/C11H21NO/c1-4-7-11(12-6-3)10(5-2)8-9-13/h4,7,12-13H,5-6,8-9H2,1-3H3/b7-4-,11-10-
InChIKeyGIKKVMQZEDNDGK-ZDXSPKKTSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-ethyl-4-(ethylamino)hepta-3,5-dien-1-ol?
The IUPAC name of (3Z,5Z)-3-ethyl-4-(ethylamino)hepta-3,5-dien-1-ol (CID 143063264) is (3Z,5Z)-3-ethyl-4-(ethylamino)hepta-3,5-dien-1-ol.
What is the SMILES notation for (3Z,5Z)-3-ethyl-4-(ethylamino)hepta-3,5-dien-1-ol?
The canonical SMILES for (3Z,5Z)-3-ethyl-4-(ethylamino)hepta-3,5-dien-1-ol is C/C=C\C(NCC)=C(/CC)CCO.
What is the InChIKey of (3Z,5Z)-3-ethyl-4-(ethylamino)hepta-3,5-dien-1-ol?
The InChIKey is GIKKVMQZEDNDGK-ZDXSPKKTSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-7-11(12-6-3)10(5-2)8-9-13/h4,7,12-13H,5-6,8-9H2,1-3H3/b7-4-,11-10-.
What are the key properties of (3Z,5Z)-3-ethyl-4-(ethylamino)hepta-3,5-dien-1-ol?
(3Z,5Z)-3-ethyl-4-(ethylamino)hepta-3,5-dien-1-ol has a molecular weight of 183.30 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-ethyl-4-(ethylamino)hepta-3,5-dien-1-ol is sourced from PubChem (CID 143063264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).