(6E,7Z)-6-ethylidene-9-methyl-2-(propylamino)deca-7,9-dien-5-ol

C16H29NO — CID 134568838

IUPAC(6E,7Z)-6-ethylidene-9-methyl-2-(propylamino)deca-7,9-dien-5-ol
SMILESC=C(C)/C=C\C(=C/C)C(O)CCC(C)NCCC
InChIInChI=1S/C16H29NO/c1-6-12-17-14(5)9-11-16(18)15(7-2)10-8-13(3)4/h7-8,10,14,16-18H,3,6,9,11-12H2,1-2,4-5H3/b10-8-,15-7+
InChIKeyNTUOFXIQYLKYHU-SRTZDBFQSA-N
MW251.41 g/mol
LogP3.59
Rot. Bonds9

About (6E,7Z)-6-ethylidene-9-methyl-2-(propylamino)deca-7,9-dien-5-ol

(6E,7Z)-6-ethylidene-9-methyl-2-(propylamino)deca-7,9-dien-5-ol (PubChem CID 134568838) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (6E,7Z)-6-ethylidene-9-methyl-2-(propylamino)deca-7,9-dien-5-ol.

Molecular Properties

Compound Name(6E,7Z)-6-ethylidene-9-methyl-2-(propylamino)deca-7,9-dien-5-ol
PubChem CID134568838
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(6E,7Z)-6-ethylidene-9-methyl-2-(propylamino)deca-7,9-dien-5-ol
SMILESC=C(C)/C=C\C(=C/C)C(O)CCC(C)NCCC
InChIInChI=1S/C16H29NO/c1-6-12-17-14(5)9-11-16(18)15(7-2)10-8-13(3)4/h7-8,10,14,16-18H,3,6,9,11-12H2,1-2,4-5H3/b10-8-,15-7+
InChIKeyNTUOFXIQYLKYHU-SRTZDBFQSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.59
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 (6E,7Z)-6-ethylidene-9-methyl-2-(propylamino)deca-7,9-dien-5-ol?
The IUPAC name of (6E,7Z)-6-ethylidene-9-methyl-2-(propylamino)deca-7,9-dien-5-ol (CID 134568838) is (6E,7Z)-6-ethylidene-9-methyl-2-(propylamino)deca-7,9-dien-5-ol.
What is the SMILES notation for (6E,7Z)-6-ethylidene-9-methyl-2-(propylamino)deca-7,9-dien-5-ol?
The canonical SMILES for (6E,7Z)-6-ethylidene-9-methyl-2-(propylamino)deca-7,9-dien-5-ol is C=C(C)/C=C\C(=C/C)C(O)CCC(C)NCCC.
What is the InChIKey of (6E,7Z)-6-ethylidene-9-methyl-2-(propylamino)deca-7,9-dien-5-ol?
The InChIKey is NTUOFXIQYLKYHU-SRTZDBFQSA-N. The full InChI is InChI=1S/C16H29NO/c1-6-12-17-14(5)9-11-16(18)15(7-2)10-8-13(3)4/h7-8,10,14,16-18H,3,6,9,11-12H2,1-2,4-5H3/b10-8-,15-7+.
What are the key properties of (6E,7Z)-6-ethylidene-9-methyl-2-(propylamino)deca-7,9-dien-5-ol?
(6E,7Z)-6-ethylidene-9-methyl-2-(propylamino)deca-7,9-dien-5-ol has a molecular weight of 251.41 g/mol, XLogP of 3.59, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,7Z)-6-ethylidene-9-methyl-2-(propylamino)deca-7,9-dien-5-ol is sourced from PubChem (CID 134568838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).