6-[(6Z,7Z)-3-[(3S,4R)-3-ethyl-3,4-dimethylcyclopentyl]-9-fluoro-8-methyl-6-prop-2-enylidenedeca-1,7-dien-2-yl]-3,4-dihydropyridine

C28H42FN — CID 143683718

IUPAC6-[(6Z,7Z)-3-[(3S,4R)-3-ethyl-3,4-dimethylcyclopentyl]-9-fluoro-8-methyl-6-prop-2-enylidenedeca-1,7-dien-2-yl]-3,4-dihydropyridine
SMILESC=C/C=C(\C=C(\C)C(C)F)CCC(C(=C)C1=CCCC=N1)C1C[C@@H](C)[C@@](C)(CC)C1
InChIInChI=1S/C28H42FN/c1-8-12-24(17-20(3)23(6)29)14-15-26(22(5)27-13-10-11-16-30-27)25-18-21(4)28(7,9-2)19-25/h8,12-13,16-17,21,23,25-26H,1,5,9-11,14-15,18-19H2,2-4,6-7H3/b20-17-,24-12-/t21-,23?,25?,26?,28+/m1/s1
InChIKeyBTXONZCMQKVAOJ-CTUAMZQOSA-N
MW411.65 g/mol
LogP8.57
Rot. Bonds10

About 6-[(6Z,7Z)-3-[(3S,4R)-3-ethyl-3,4-dimethylcyclopentyl]-9-fluoro-8-methyl-6-prop-2-enylidenedeca-1,7-dien-2-yl]-3,4-dihydropyridine

6-[(6Z,7Z)-3-[(3S,4R)-3-ethyl-3,4-dimethylcyclopentyl]-9-fluoro-8-methyl-6-prop-2-enylidenedeca-1,7-dien-2-yl]-3,4-dihydropyridine (PubChem CID 143683718) has the molecular formula C28H42FN and a molecular weight of 411.65 g/mol. Its IUPAC name is 6-[(6Z,7Z)-3-[(3S,4R)-3-ethyl-3,4-dimethylcyclopentyl]-9-fluoro-8-methyl-6-prop-2-enylidenedeca-1,7-dien-2-yl]-3,4-dihydropyridine.

Molecular Properties

Compound Name6-[(6Z,7Z)-3-[(3S,4R)-3-ethyl-3,4-dimethylcyclopentyl]-9-fluoro-8-methyl-6-prop-2-enylidenedeca-1,7-dien-2-yl]-3,4-dihydropyridine
PubChem CID143683718
Molecular FormulaC28H42FN
Molecular Weight411.65 g/mol
Exact Mass411.33
IUPAC Name6-[(6Z,7Z)-3-[(3S,4R)-3-ethyl-3,4-dimethylcyclopentyl]-9-fluoro-8-methyl-6-prop-2-enylidenedeca-1,7-dien-2-yl]-3,4-dihydropyridine
SMILESC=C/C=C(\C=C(\C)C(C)F)CCC(C(=C)C1=CCCC=N1)C1C[C@@H](C)[C@@](C)(CC)C1
InChIInChI=1S/C28H42FN/c1-8-12-24(17-20(3)23(6)29)14-15-26(22(5)27-13-10-11-16-30-27)25-18-21(4)28(7,9-2)19-25/h8,12-13,16-17,21,23,25-26H,1,5,9-11,14-15,18-19H2,2-4,6-7H3/b20-17-,24-12-/t21-,23?,25?,26?,28+/m1/s1
InChIKeyBTXONZCMQKVAOJ-CTUAMZQOSA-N
XLogP8.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.65
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-[(6Z,7Z)-3-[(3S,4R)-3-ethyl-3,4-dimethylcyclopentyl]-9-fluoro-8-methyl-6-prop-2-enylidenedeca-1,7-dien-2-yl]-3,4-dihydropyridine with MolForge

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Related Compounds

3,6,6-trimethyl-3-nonan-5-yl-4H-cyclohepta[b]pyridine
CID 123857363
6-[5-[(10Z)-4-ethylcycloundeca-2,10-dien-1-yl]hexa-1,5-dien-2-yl]-5-methyl-3,4-dihydropyridine
CID 139563387
6-[5-(4-Butyl-1,5-dimethylcyclohexa-2,4-dien-1-yl)hexa-1,5-dien-2-yl]-5-ethyl-3,4-dihydropyridine
CID 139563418
ethane;6-[(6Z,7Z)-3-[(3S,4R)-3-ethyl-3,4-dimethylcyclopentyl]-9-fluoro-8-methyl-6-prop-2-enylidenedeca-1,7-dien-2-yl]-3,4-dihydropyridine;methylcyclopentane
CID 143683717
3-(4,5-Dimethylheptan-2-yl)-3,4-dimethyl-5-penta-1,4-dien-2-ylpyrrole
CID 154999871
N-[(4E,6Z)-2-[6-(3-methylhept-4-en-3-yl)cyclohexa-1,3-dien-1-yl]nona-1,4,6,8-tetraen-4-yl]ethanimine
CID 166927538
N-[3-[[(3S)-4-butyl-3-ethyl-3-methylcyclopentyl]methyl]buta-1,3-dien-2-yl]propan-1-imine
CID 143682887

Frequently Asked Questions

What is the IUPAC name of 6-[(6Z,7Z)-3-[(3S,4R)-3-ethyl-3,4-dimethylcyclopentyl]-9-fluoro-8-methyl-6-prop-2-enylidenedeca-1,7-dien-2-yl]-3,4-dihydropyridine?
The IUPAC name of 6-[(6Z,7Z)-3-[(3S,4R)-3-ethyl-3,4-dimethylcyclopentyl]-9-fluoro-8-methyl-6-prop-2-enylidenedeca-1,7-dien-2-yl]-3,4-dihydropyridine (CID 143683718) is 6-[(6Z,7Z)-3-[(3S,4R)-3-ethyl-3,4-dimethylcyclopentyl]-9-fluoro-8-methyl-6-prop-2-enylidenedeca-1,7-dien-2-yl]-3,4-dihydropyridine.
What is the SMILES notation for 6-[(6Z,7Z)-3-[(3S,4R)-3-ethyl-3,4-dimethylcyclopentyl]-9-fluoro-8-methyl-6-prop-2-enylidenedeca-1,7-dien-2-yl]-3,4-dihydropyridine?
The canonical SMILES for 6-[(6Z,7Z)-3-[(3S,4R)-3-ethyl-3,4-dimethylcyclopentyl]-9-fluoro-8-methyl-6-prop-2-enylidenedeca-1,7-dien-2-yl]-3,4-dihydropyridine is C=C/C=C(\C=C(\C)C(C)F)CCC(C(=C)C1=CCCC=N1)C1C[C@@H](C)[C@@](C)(CC)C1.
What is the InChIKey of 6-[(6Z,7Z)-3-[(3S,4R)-3-ethyl-3,4-dimethylcyclopentyl]-9-fluoro-8-methyl-6-prop-2-enylidenedeca-1,7-dien-2-yl]-3,4-dihydropyridine?
The InChIKey is BTXONZCMQKVAOJ-CTUAMZQOSA-N. The full InChI is InChI=1S/C28H42FN/c1-8-12-24(17-20(3)23(6)29)14-15-26(22(5)27-13-10-11-16-30-27)25-18-21(4)28(7,9-2)19-25/h8,12-13,16-17,21,23,25-26H,1,5,9-11,14-15,18-19H2,2-4,6-7H3/b20-17-,24-12-/t21-,23?,25?,26?,28+/m1/s1.
What are the key properties of 6-[(6Z,7Z)-3-[(3S,4R)-3-ethyl-3,4-dimethylcyclopentyl]-9-fluoro-8-methyl-6-prop-2-enylidenedeca-1,7-dien-2-yl]-3,4-dihydropyridine?
6-[(6Z,7Z)-3-[(3S,4R)-3-ethyl-3,4-dimethylcyclopentyl]-9-fluoro-8-methyl-6-prop-2-enylidenedeca-1,7-dien-2-yl]-3,4-dihydropyridine has a molecular weight of 411.65 g/mol, XLogP of 8.57, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6Z,7Z)-3-[(3S,4R)-3-ethyl-3,4-dimethylcyclopentyl]-9-fluoro-8-methyl-6-prop-2-enylidenedeca-1,7-dien-2-yl]-3,4-dihydropyridine is sourced from PubChem (CID 143683718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).