(3R,4R,5E,6Z)-3-[(dimethylamino)methyl]-4-ethyl-5-ethylidenenona-6,8-dien-4-ol

C16H29NO — CID 142251065

IUPAC(3R,4R,5E,6Z)-3-[(dimethylamino)methyl]-4-ethyl-5-ethylidenenona-6,8-dien-4-ol
SMILESC=C/C=C\C(=C/C)[C@@](O)(CC)[C@H](CC)CN(C)C
InChIInChI=1S/C16H29NO/c1-7-11-12-14(8-2)16(18,10-4)15(9-3)13-17(5)6/h7-8,11-12,15,18H,1,9-10,13H2,2-6H3/b12-11-,14-8+/t15-,16+/m1/s1
InChIKeyFGVLCAWFJXCERE-YUBRPDHZSA-N
MW251.41 g/mol
LogP3.40
Rot. Bonds8

About (3R,4R,5E,6Z)-3-[(dimethylamino)methyl]-4-ethyl-5-ethylidenenona-6,8-dien-4-ol

(3R,4R,5E,6Z)-3-[(dimethylamino)methyl]-4-ethyl-5-ethylidenenona-6,8-dien-4-ol (PubChem CID 142251065) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (3R,4R,5E,6Z)-3-[(dimethylamino)methyl]-4-ethyl-5-ethylidenenona-6,8-dien-4-ol.

Molecular Properties

Compound Name(3R,4R,5E,6Z)-3-[(dimethylamino)methyl]-4-ethyl-5-ethylidenenona-6,8-dien-4-ol
PubChem CID142251065
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(3R,4R,5E,6Z)-3-[(dimethylamino)methyl]-4-ethyl-5-ethylidenenona-6,8-dien-4-ol
SMILESC=C/C=C\C(=C/C)[C@@](O)(CC)[C@H](CC)CN(C)C
InChIInChI=1S/C16H29NO/c1-7-11-12-14(8-2)16(18,10-4)15(9-3)13-17(5)6/h7-8,11-12,15,18H,1,9-10,13H2,2-6H3/b12-11-,14-8+/t15-,16+/m1/s1
InChIKeyFGVLCAWFJXCERE-YUBRPDHZSA-N
XLogP3.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
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 (3R,4R,5E,6Z)-3-[(dimethylamino)methyl]-4-ethyl-5-ethylidenenona-6,8-dien-4-ol?
The IUPAC name of (3R,4R,5E,6Z)-3-[(dimethylamino)methyl]-4-ethyl-5-ethylidenenona-6,8-dien-4-ol (CID 142251065) is (3R,4R,5E,6Z)-3-[(dimethylamino)methyl]-4-ethyl-5-ethylidenenona-6,8-dien-4-ol.
What is the SMILES notation for (3R,4R,5E,6Z)-3-[(dimethylamino)methyl]-4-ethyl-5-ethylidenenona-6,8-dien-4-ol?
The canonical SMILES for (3R,4R,5E,6Z)-3-[(dimethylamino)methyl]-4-ethyl-5-ethylidenenona-6,8-dien-4-ol is C=C/C=C\C(=C/C)[C@@](O)(CC)[C@H](CC)CN(C)C.
What is the InChIKey of (3R,4R,5E,6Z)-3-[(dimethylamino)methyl]-4-ethyl-5-ethylidenenona-6,8-dien-4-ol?
The InChIKey is FGVLCAWFJXCERE-YUBRPDHZSA-N. The full InChI is InChI=1S/C16H29NO/c1-7-11-12-14(8-2)16(18,10-4)15(9-3)13-17(5)6/h7-8,11-12,15,18H,1,9-10,13H2,2-6H3/b12-11-,14-8+/t15-,16+/m1/s1.
What are the key properties of (3R,4R,5E,6Z)-3-[(dimethylamino)methyl]-4-ethyl-5-ethylidenenona-6,8-dien-4-ol?
(3R,4R,5E,6Z)-3-[(dimethylamino)methyl]-4-ethyl-5-ethylidenenona-6,8-dien-4-ol has a molecular weight of 251.41 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5E,6Z)-3-[(dimethylamino)methyl]-4-ethyl-5-ethylidenenona-6,8-dien-4-ol is sourced from PubChem (CID 142251065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).