(3E)-2-fluoro-3-(methoxymethylidene)-4-methylhept-1-ene

C10H17FO — CID 89329967

IUPAC(3E)-2-fluoro-3-(methoxymethylidene)-4-methylhept-1-ene
SMILESC=C(F)/C(=C/OC)C(C)CCC
InChIInChI=1S/C10H17FO/c1-5-6-8(2)10(7-12-4)9(3)11/h7-8H,3,5-6H2,1-2,4H3/b10-7+
InChIKeyDMVWOCKJAXXQQV-JXMROGBWSA-N
MW172.24 g/mol
LogP3.44
Rot. Bonds5

About (3E)-2-fluoro-3-(methoxymethylidene)-4-methylhept-1-ene

(3E)-2-fluoro-3-(methoxymethylidene)-4-methylhept-1-ene (PubChem CID 89329967) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is (3E)-2-fluoro-3-(methoxymethylidene)-4-methylhept-1-ene.

Molecular Properties

Compound Name(3E)-2-fluoro-3-(methoxymethylidene)-4-methylhept-1-ene
PubChem CID89329967
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Name(3E)-2-fluoro-3-(methoxymethylidene)-4-methylhept-1-ene
SMILESC=C(F)/C(=C/OC)C(C)CCC
InChIInChI=1S/C10H17FO/c1-5-6-8(2)10(7-12-4)9(3)11/h7-8H,3,5-6H2,1-2,4H3/b10-7+
InChIKeyDMVWOCKJAXXQQV-JXMROGBWSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 53.44
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

1-(Methoxymethylene)-4-methylcyclohexane
CID 23401550
2,2,3,5,5-Pentamethyl-4-(2,2,2-trifluoroethoxymethylidene)hexane
CID 124010400
1-Ethoxy-2,3,5,5-tetramethylhex-1-ene
CID 170842835
(1E)-1-(methoxymethylidene)-2-methylcyclohexane
CID 12838342
(1Z)-1-(methoxymethylidene)-2-methylcyclohexane
CID 12838343
(1Z)-1-(methoxymethylidene)-3-methylcyclohexane
CID 20641278
1-(Methoxymethylidene)-2-methylcyclohexane
CID 53999759
3-Methyl-4-(propan-2-yloxymethylidene)hexane
CID 123523587
(3E)-3-(but-1-en-2-yloxymethylidene)-2,6-dimethylhept-1-ene
CID 130239337
Ethane;1-(methoxymethylidene)-4-methylcyclohexane
CID 143018857
1-Ethoxy-3-ethyl-2-methylpent-1-ene
CID 156579367
1-(2,4-Dimethylpent-1-enoxy)-2,4-dimethylpent-1-ene
CID 170549267

Frequently Asked Questions

What is the IUPAC name of (3E)-2-fluoro-3-(methoxymethylidene)-4-methylhept-1-ene?
The IUPAC name of (3E)-2-fluoro-3-(methoxymethylidene)-4-methylhept-1-ene (CID 89329967) is (3E)-2-fluoro-3-(methoxymethylidene)-4-methylhept-1-ene.
What is the SMILES notation for (3E)-2-fluoro-3-(methoxymethylidene)-4-methylhept-1-ene?
The canonical SMILES for (3E)-2-fluoro-3-(methoxymethylidene)-4-methylhept-1-ene is C=C(F)/C(=C/OC)C(C)CCC.
What is the InChIKey of (3E)-2-fluoro-3-(methoxymethylidene)-4-methylhept-1-ene?
The InChIKey is DMVWOCKJAXXQQV-JXMROGBWSA-N. The full InChI is InChI=1S/C10H17FO/c1-5-6-8(2)10(7-12-4)9(3)11/h7-8H,3,5-6H2,1-2,4H3/b10-7+.
What are the key properties of (3E)-2-fluoro-3-(methoxymethylidene)-4-methylhept-1-ene?
(3E)-2-fluoro-3-(methoxymethylidene)-4-methylhept-1-ene has a molecular weight of 172.24 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-fluoro-3-(methoxymethylidene)-4-methylhept-1-ene is sourced from PubChem (CID 89329967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).