(Z)-2-fluoro-5-methoxy-6-methylhept-3-ene

C9H17FO — CID 146222819

IUPAC(Z)-2-fluoro-5-methoxy-6-methylhept-3-ene
SMILESCC(C)C(/C=C\C(C)F)OC
InChIInChI=1S/C9H17FO/c1-7(2)9(11-4)6-5-8(3)10/h5-9H,1-4H3/b6-5-
InChIKeyBODIZCOHFZLCBF-WAYWQWQTSA-N
MW160.23 g/mol
LogP2.50
Rot. Bonds4

About (Z)-2-fluoro-5-methoxy-6-methylhept-3-ene

(Z)-2-fluoro-5-methoxy-6-methylhept-3-ene (PubChem CID 146222819) has the molecular formula C9H17FO and a molecular weight of 160.23 g/mol. Its IUPAC name is (Z)-2-fluoro-5-methoxy-6-methylhept-3-ene.

Molecular Properties

Compound Name(Z)-2-fluoro-5-methoxy-6-methylhept-3-ene
PubChem CID146222819
Molecular FormulaC9H17FO
Molecular Weight160.23 g/mol
Exact Mass160.13
IUPAC Name(Z)-2-fluoro-5-methoxy-6-methylhept-3-ene
SMILESCC(C)C(/C=C\C(C)F)OC
InChIInChI=1S/C9H17FO/c1-7(2)9(11-4)6-5-8(3)10/h5-9H,1-4H3/b6-5-
InChIKeyBODIZCOHFZLCBF-WAYWQWQTSA-N
XLogP2.50
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity121

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Propan-2-yl-2,5-dihydrofuran
CID 12507024
5,5-dimethyl-2-propan-2-yl-2H-furan
CID 12507023
Isopropyl-5,6-dihydro-2h-pyran
CID 23384838
(E)-1-(3-ethoxybutan-2-yloxy)-4,4-difluoro-5-methylhex-2-ene
CID 88975435
(2Z,4E,6E)-5-(1-fluoro-2-methylpropoxy)-9-methyldeca-2,4,6-triene
CID 89312914
6-Methyl-3-(trifluoromethoxy)cyclohepta-1,4-diene
CID 89642583
7-(Fluoromethoxy)-3,4-dimethyldec-5-ene
CID 90964698
2-Fluoro-6-methyl-5-propan-2-yloxycyclohexa-1,3-diene
CID 117712739
1-Fluoro-5-methoxy-2-propan-2-ylcyclohexa-1,3-diene
CID 123848972
(2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylideneocta-2,4-diene
CID 129196380
1,2-Difluoro-6-methoxy-5-methylcyclohexa-1,3-diene
CID 129196388
(2E,4Z)-3-fluoro-1-methoxy-6,7-dimethylocta-2,4-diene
CID 129196424

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-5-methoxy-6-methylhept-3-ene?
The IUPAC name of (Z)-2-fluoro-5-methoxy-6-methylhept-3-ene (CID 146222819) is (Z)-2-fluoro-5-methoxy-6-methylhept-3-ene.
What is the SMILES notation for (Z)-2-fluoro-5-methoxy-6-methylhept-3-ene?
The canonical SMILES for (Z)-2-fluoro-5-methoxy-6-methylhept-3-ene is CC(C)C(/C=C\C(C)F)OC.
What is the InChIKey of (Z)-2-fluoro-5-methoxy-6-methylhept-3-ene?
The InChIKey is BODIZCOHFZLCBF-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H17FO/c1-7(2)9(11-4)6-5-8(3)10/h5-9H,1-4H3/b6-5-.
What are the key properties of (Z)-2-fluoro-5-methoxy-6-methylhept-3-ene?
(Z)-2-fluoro-5-methoxy-6-methylhept-3-ene has a molecular weight of 160.23 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-5-methoxy-6-methylhept-3-ene is sourced from PubChem (CID 146222819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).