1-[(2E,4Z)-6-fluorohepta-2,4-dien-3-yl]oxy-4-methylcyclohexane

C14H23FO — CID 143220169

IUPAC1-[(2E,4Z)-6-fluorohepta-2,4-dien-3-yl]oxy-4-methylcyclohexane
SMILESC/C=C(\C=C/C(C)F)OC1CCC(C)CC1
InChIInChI=1S/C14H23FO/c1-4-13(10-7-12(3)15)16-14-8-5-11(2)6-9-14/h4,7,10-12,14H,5-6,8-9H2,1-3H3/b10-7-,13-4+
InChIKeyKTWCCSBEQCXAIB-DJIRJURBSA-N
MW226.34 g/mol
LogP4.40
Rot. Bonds4

About 1-[(2E,4Z)-6-fluorohepta-2,4-dien-3-yl]oxy-4-methylcyclohexane

1-[(2E,4Z)-6-fluorohepta-2,4-dien-3-yl]oxy-4-methylcyclohexane (PubChem CID 143220169) has the molecular formula C14H23FO and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-[(2E,4Z)-6-fluorohepta-2,4-dien-3-yl]oxy-4-methylcyclohexane.

Molecular Properties

Compound Name1-[(2E,4Z)-6-fluorohepta-2,4-dien-3-yl]oxy-4-methylcyclohexane
PubChem CID143220169
Molecular FormulaC14H23FO
Molecular Weight226.34 g/mol
Exact Mass226.17
IUPAC Name1-[(2E,4Z)-6-fluorohepta-2,4-dien-3-yl]oxy-4-methylcyclohexane
SMILESC/C=C(\C=C/C(C)F)OC1CCC(C)CC1
InChIInChI=1S/C14H23FO/c1-4-13(10-7-12(3)15)16-14-8-5-11(2)6-9-14/h4,7,10-12,14H,5-6,8-9H2,1-3H3/b10-7-,13-4+
InChIKeyKTWCCSBEQCXAIB-DJIRJURBSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,3-Difluoro-1-methyl-4-pent-2-enoxycyclohexane
CID 71099919
5-ethyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247475
1-[(3Z,5Z)-4-methylhepta-1,3,5-trien-3-yl]oxy-4-(trifluoromethyl)cyclohexane
CID 90059064
1-Methyl-4-[2-(trifluoromethyl)hexa-1,3,5-trien-3-yloxy]cyclohexane
CID 123559813
1-[Difluoro-(4-methylcyclohexyl)oxymethyl]-5,5,6,6-tetrafluoro-4-methylcyclohexa-1,3-diene
CID 137537828
5,5,6,6-Tetrafluoro-1-methyl-4-[(4-methylcyclohexyl)oxymethyl]cyclohexa-1,3-diene
CID 137537933
2-cyclohexyl-4-fluoro-2H-pyran
CID 139618245
1-Methyl-4-[4-(trifluoromethyl)cyclopent-2-en-1-yl]oxycyclohexane
CID 141835969
3-Methyl-6-[4-(trifluoromethyl)cyclohexyl]oxycyclohexene
CID 141835973
3-(3-Cyclohexylpropoxy)-1,5-difluoro-6-methylcyclohexa-1,3-diene
CID 141896225
1-[[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]oxymethyl]-4-methylcyclohexane
CID 141967579
[(3Z)-3,4-difluoro-5-methylhexa-1,3,5-trien-2-yl]oxymethylcyclohexane
CID 142377058

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-6-fluorohepta-2,4-dien-3-yl]oxy-4-methylcyclohexane?
The IUPAC name of 1-[(2E,4Z)-6-fluorohepta-2,4-dien-3-yl]oxy-4-methylcyclohexane (CID 143220169) is 1-[(2E,4Z)-6-fluorohepta-2,4-dien-3-yl]oxy-4-methylcyclohexane.
What is the SMILES notation for 1-[(2E,4Z)-6-fluorohepta-2,4-dien-3-yl]oxy-4-methylcyclohexane?
The canonical SMILES for 1-[(2E,4Z)-6-fluorohepta-2,4-dien-3-yl]oxy-4-methylcyclohexane is C/C=C(\C=C/C(C)F)OC1CCC(C)CC1.
What is the InChIKey of 1-[(2E,4Z)-6-fluorohepta-2,4-dien-3-yl]oxy-4-methylcyclohexane?
The InChIKey is KTWCCSBEQCXAIB-DJIRJURBSA-N. The full InChI is InChI=1S/C14H23FO/c1-4-13(10-7-12(3)15)16-14-8-5-11(2)6-9-14/h4,7,10-12,14H,5-6,8-9H2,1-3H3/b10-7-,13-4+.
What are the key properties of 1-[(2E,4Z)-6-fluorohepta-2,4-dien-3-yl]oxy-4-methylcyclohexane?
1-[(2E,4Z)-6-fluorohepta-2,4-dien-3-yl]oxy-4-methylcyclohexane has a molecular weight of 226.34 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-6-fluorohepta-2,4-dien-3-yl]oxy-4-methylcyclohexane is sourced from PubChem (CID 143220169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).