(Z,5S)-2,5-dimethyl-5-(trifluoromethoxy)hept-3-ene

C10H17F3O — CID 162593053

IUPAC(Z,5S)-2,5-dimethyl-5-(trifluoromethoxy)hept-3-ene
SMILESCC[C@@](C)(/C=C\C(C)C)OC(F)(F)F
InChIInChI=1S/C10H17F3O/c1-5-9(4,7-6-8(2)3)14-10(11,12)13/h6-8H,5H2,1-4H3/b7-6-/t9-/m0/s1
InChIKeyYEJIOZJCBWEIJW-NMTCXDENSA-N
MW210.24 g/mol
LogP3.90
Rot. Bonds4

About (Z,5S)-2,5-dimethyl-5-(trifluoromethoxy)hept-3-ene

(Z,5S)-2,5-dimethyl-5-(trifluoromethoxy)hept-3-ene (PubChem CID 162593053) has the molecular formula C10H17F3O and a molecular weight of 210.24 g/mol. Its IUPAC name is (Z,5S)-2,5-dimethyl-5-(trifluoromethoxy)hept-3-ene.

Molecular Properties

Compound Name(Z,5S)-2,5-dimethyl-5-(trifluoromethoxy)hept-3-ene
PubChem CID162593053
Molecular FormulaC10H17F3O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name(Z,5S)-2,5-dimethyl-5-(trifluoromethoxy)hept-3-ene
SMILESCC[C@@](C)(/C=C\C(C)C)OC(F)(F)F
InChIInChI=1S/C10H17F3O/c1-5-9(4,7-6-8(2)3)14-10(11,12)13/h6-8H,5H2,1-4H3/b7-6-/t9-/m0/s1
InChIKeyYEJIOZJCBWEIJW-NMTCXDENSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,5S)-2,5-dimethyl-5-(trifluoromethoxy)hept-3-ene?
The IUPAC name of (Z,5S)-2,5-dimethyl-5-(trifluoromethoxy)hept-3-ene (CID 162593053) is (Z,5S)-2,5-dimethyl-5-(trifluoromethoxy)hept-3-ene.
What is the SMILES notation for (Z,5S)-2,5-dimethyl-5-(trifluoromethoxy)hept-3-ene?
The canonical SMILES for (Z,5S)-2,5-dimethyl-5-(trifluoromethoxy)hept-3-ene is CC[C@@](C)(/C=C\C(C)C)OC(F)(F)F.
What is the InChIKey of (Z,5S)-2,5-dimethyl-5-(trifluoromethoxy)hept-3-ene?
The InChIKey is YEJIOZJCBWEIJW-NMTCXDENSA-N. The full InChI is InChI=1S/C10H17F3O/c1-5-9(4,7-6-8(2)3)14-10(11,12)13/h6-8H,5H2,1-4H3/b7-6-/t9-/m0/s1.
What are the key properties of (Z,5S)-2,5-dimethyl-5-(trifluoromethoxy)hept-3-ene?
(Z,5S)-2,5-dimethyl-5-(trifluoromethoxy)hept-3-ene has a molecular weight of 210.24 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5S)-2,5-dimethyl-5-(trifluoromethoxy)hept-3-ene is sourced from PubChem (CID 162593053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).