3-ethenyl-1-[(Z,5Z)-5-[(6E)-3-methoxy-6-propylidenecyclohexa-2,4-dien-1-ylidene]oct-6-en-3-yl]-4-methylpiperidine

C26H39NO — CID 143350365

IUPAC3-ethenyl-1-[(Z,5Z)-5-[(6E)-3-methoxy-6-propylidenecyclohexa-2,4-dien-1-ylidene]oct-6-en-3-yl]-4-methylpiperidine
SMILESC=CC1CN(C(CC)CC(/C=C\C)=c2\cc(OC)cc\c2=C/CC)CCC1C
InChIInChI=1S/C26H39NO/c1-7-11-22-13-14-25(28-6)18-26(22)23(12-8-2)17-24(10-4)27-16-15-20(5)21(9-3)19-27/h8-9,11-14,18,20-21,24H,3,7,10,15-17,19H2,1-2,4-6H3/b12-8-,22-11+,26-23+
InChIKeyKHMLMKLLPQOQGP-GYIFNRPJSA-N
MW381.60 g/mol
LogP4.93
Rot. Bonds8

About 3-ethenyl-1-[(Z,5Z)-5-[(6E)-3-methoxy-6-propylidenecyclohexa-2,4-dien-1-ylidene]oct-6-en-3-yl]-4-methylpiperidine

3-ethenyl-1-[(Z,5Z)-5-[(6E)-3-methoxy-6-propylidenecyclohexa-2,4-dien-1-ylidene]oct-6-en-3-yl]-4-methylpiperidine (PubChem CID 143350365) has the molecular formula C26H39NO and a molecular weight of 381.60 g/mol. Its IUPAC name is 3-ethenyl-1-[(Z,5Z)-5-[(6E)-3-methoxy-6-propylidenecyclohexa-2,4-dien-1-ylidene]oct-6-en-3-yl]-4-methylpiperidine.

Molecular Properties

Compound Name3-ethenyl-1-[(Z,5Z)-5-[(6E)-3-methoxy-6-propylidenecyclohexa-2,4-dien-1-ylidene]oct-6-en-3-yl]-4-methylpiperidine
PubChem CID143350365
Molecular FormulaC26H39NO
Molecular Weight381.60 g/mol
Exact Mass381.30
IUPAC Name3-ethenyl-1-[(Z,5Z)-5-[(6E)-3-methoxy-6-propylidenecyclohexa-2,4-dien-1-ylidene]oct-6-en-3-yl]-4-methylpiperidine
SMILESC=CC1CN(C(CC)CC(/C=C\C)=c2\cc(OC)cc\c2=C/CC)CCC1C
InChIInChI=1S/C26H39NO/c1-7-11-22-13-14-25(28-6)18-26(22)23(12-8-2)17-24(10-4)27-16-15-20(5)21(9-3)19-27/h8-9,11-14,18,20-21,24H,3,7,10,15-17,19H2,1-2,4-6H3/b12-8-,22-11+,26-23+
InChIKeyKHMLMKLLPQOQGP-GYIFNRPJSA-N
XLogP4.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.60
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethenyl-1-[(Z,5Z)-5-[(6E)-3-methoxy-6-propylidenecyclohexa-2,4-dien-1-ylidene]oct-6-en-3-yl]-4-methylpiperidine with MolForge

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Related Compounds

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6-ethoxy-1,1,4-trimethyl-3,4,4a,8a-tetrahydro-2H-quinolin-1-ium
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1-Butyl-8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline
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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-[(Z,5Z)-5-[(6E)-3-methoxy-6-propylidenecyclohexa-2,4-dien-1-ylidene]oct-6-en-3-yl]-4-methylpiperidine?
The IUPAC name of 3-ethenyl-1-[(Z,5Z)-5-[(6E)-3-methoxy-6-propylidenecyclohexa-2,4-dien-1-ylidene]oct-6-en-3-yl]-4-methylpiperidine (CID 143350365) is 3-ethenyl-1-[(Z,5Z)-5-[(6E)-3-methoxy-6-propylidenecyclohexa-2,4-dien-1-ylidene]oct-6-en-3-yl]-4-methylpiperidine.
What is the SMILES notation for 3-ethenyl-1-[(Z,5Z)-5-[(6E)-3-methoxy-6-propylidenecyclohexa-2,4-dien-1-ylidene]oct-6-en-3-yl]-4-methylpiperidine?
The canonical SMILES for 3-ethenyl-1-[(Z,5Z)-5-[(6E)-3-methoxy-6-propylidenecyclohexa-2,4-dien-1-ylidene]oct-6-en-3-yl]-4-methylpiperidine is C=CC1CN(C(CC)CC(/C=C\C)=c2\cc(OC)cc\c2=C/CC)CCC1C.
What is the InChIKey of 3-ethenyl-1-[(Z,5Z)-5-[(6E)-3-methoxy-6-propylidenecyclohexa-2,4-dien-1-ylidene]oct-6-en-3-yl]-4-methylpiperidine?
The InChIKey is KHMLMKLLPQOQGP-GYIFNRPJSA-N. The full InChI is InChI=1S/C26H39NO/c1-7-11-22-13-14-25(28-6)18-26(22)23(12-8-2)17-24(10-4)27-16-15-20(5)21(9-3)19-27/h8-9,11-14,18,20-21,24H,3,7,10,15-17,19H2,1-2,4-6H3/b12-8-,22-11+,26-23+.
What are the key properties of 3-ethenyl-1-[(Z,5Z)-5-[(6E)-3-methoxy-6-propylidenecyclohexa-2,4-dien-1-ylidene]oct-6-en-3-yl]-4-methylpiperidine?
3-ethenyl-1-[(Z,5Z)-5-[(6E)-3-methoxy-6-propylidenecyclohexa-2,4-dien-1-ylidene]oct-6-en-3-yl]-4-methylpiperidine has a molecular weight of 381.60 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-[(Z,5Z)-5-[(6E)-3-methoxy-6-propylidenecyclohexa-2,4-dien-1-ylidene]oct-6-en-3-yl]-4-methylpiperidine is sourced from PubChem (CID 143350365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).