1-[(4Z)-4,5-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-4-ethylcyclohexane

C17H26F2 — CID 143959577

IUPAC1-[(4Z)-4,5-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-4-ethylcyclohexane
SMILESC=C(C)/C(F)=C(/F)C(=C)CCC1CCC(CC)CC1
InChIInChI=1S/C17H26F2/c1-5-14-8-10-15(11-9-14)7-6-13(4)17(19)16(18)12(2)3/h14-15H,2,4-11H2,1,3H3/b17-16-
InChIKeyBEQKHYXMTDHJAX-MSUUIHNZSA-N
MW268.39 g/mol
LogP6.27
Rot. Bonds6

About 1-[(4Z)-4,5-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-4-ethylcyclohexane

1-[(4Z)-4,5-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-4-ethylcyclohexane (PubChem CID 143959577) has the molecular formula C17H26F2 and a molecular weight of 268.39 g/mol. Its IUPAC name is 1-[(4Z)-4,5-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-4-ethylcyclohexane.

Molecular Properties

Compound Name1-[(4Z)-4,5-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-4-ethylcyclohexane
PubChem CID143959577
Molecular FormulaC17H26F2
Molecular Weight268.39 g/mol
Exact Mass268.20
IUPAC Name1-[(4Z)-4,5-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-4-ethylcyclohexane
SMILESC=C(C)/C(F)=C(/F)C(=C)CCC1CCC(CC)CC1
InChIInChI=1S/C17H26F2/c1-5-14-8-10-15(11-9-14)7-6-13(4)17(19)16(18)12(2)3/h14-15H,2,4-11H2,1,3H3/b17-16-
InChIKeyBEQKHYXMTDHJAX-MSUUIHNZSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.39
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-methylcyclohexane;2-methylprop-1-ene
CID 154678997
1-ethyl-4-(2-fluoroethyl)cyclohexane
CID 18344113
2,2-dimethylpropane;ethane;ethylcyclopentane;2-methylprop-1-ene
CID 143356436
ethane;ethylcyclopropane
CID 91380076
azane;ethylcyclopropane
CID 20975579
ethenol;ethylcyclopropane
CID 18331953
acetic acid;ethylcyclopropane
CID 175213909
1-[[(3Z)-3,4-difluoro-5-methylidenehepta-1,3-dien-2-yl]oxymethyl]-4-propylcyclohexane
CID 145027741
ethylcyclobutane;tris(2-methylprop-2-enoic acid)
CID 67802354
(4-ethylcyclohexyl) 2-methylprop-2-enoate
CID 22250722
tert-butyl 3-(4-ethylcyclohexyl)propanoate
CID 58103664
1-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexan-1-ol
CID 139648654

Frequently Asked Questions

What is the IUPAC name of 1-[(4Z)-4,5-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-4-ethylcyclohexane?
The IUPAC name of 1-[(4Z)-4,5-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-4-ethylcyclohexane (CID 143959577) is 1-[(4Z)-4,5-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-4-ethylcyclohexane.
What is the SMILES notation for 1-[(4Z)-4,5-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-4-ethylcyclohexane?
The canonical SMILES for 1-[(4Z)-4,5-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-4-ethylcyclohexane is C=C(C)/C(F)=C(/F)C(=C)CCC1CCC(CC)CC1.
What is the InChIKey of 1-[(4Z)-4,5-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-4-ethylcyclohexane?
The InChIKey is BEQKHYXMTDHJAX-MSUUIHNZSA-N. The full InChI is InChI=1S/C17H26F2/c1-5-14-8-10-15(11-9-14)7-6-13(4)17(19)16(18)12(2)3/h14-15H,2,4-11H2,1,3H3/b17-16-.
What are the key properties of 1-[(4Z)-4,5-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-4-ethylcyclohexane?
1-[(4Z)-4,5-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-4-ethylcyclohexane has a molecular weight of 268.39 g/mol, XLogP of 6.27, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z)-4,5-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-4-ethylcyclohexane is sourced from PubChem (CID 143959577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).