(E,4R)-4-ethenoxy-6-methylhept-2-ene

C10H18O — CID 11240610

IUPAC(E,4R)-4-ethenoxy-6-methylhept-2-ene
SMILESC=CO[C@@H](/C=C/C)CC(C)C
InChIInChI=1S/C10H18O/c1-5-7-10(11-6-2)8-9(3)4/h5-7,9-10H,2,8H2,1,3-4H3/b7-5+/t10-/m0/s1
InChIKeyBTACRCSQQBULCT-STUBTGCMSA-N
MW154.25 g/mol
LogP3.14
Rot. Bonds5

About (E,4R)-4-ethenoxy-6-methylhept-2-ene

(E,4R)-4-ethenoxy-6-methylhept-2-ene (PubChem CID 11240610) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (E,4R)-4-ethenoxy-6-methylhept-2-ene.

Molecular Properties

Compound Name(E,4R)-4-ethenoxy-6-methylhept-2-ene
PubChem CID11240610
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(E,4R)-4-ethenoxy-6-methylhept-2-ene
SMILESC=CO[C@@H](/C=C/C)CC(C)C
InChIInChI=1S/C10H18O/c1-5-7-10(11-6-2)8-9(3)4/h5-7,9-10H,2,8H2,1,3-4H3/b7-5+/t10-/m0/s1
InChIKeyBTACRCSQQBULCT-STUBTGCMSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,6-dihydro-4-methyl-2-(2-methylpropyl)-2H-pyran
CID 108398
(3R,4S)-3-methoxy-4-(2-methoxyethyl)cyclopentene
CID 24745087
(3S,6S)-3,6-dimethoxy-1-methyl-4-propan-2-ylcyclohexa-1,4-diene
CID 162982358
2-Isopropyl-4-methyl-3,6-dihydro-2h-pyran
CID 12283089
5-Isopropenyl-3-isopropyl-2,2-dimethyl-2,5-dihydrofuran
CID 596568
(E)-4-ethenoxyoct-2-ene
CID 12163450
1-Methoxy-3,6-dimethyl-2,7-octadiene
CID 13332107
1-Ethoxy-2,6-dimethyl-2,7-octadiene
CID 53699554
1-Methoxy-2,6-dimethylocta-2,7-diene
CID 54286528
8-Methoxy-3,6-dimethylocta-1,6-diene
CID 71362032
1-Butoxy-3,6-dimethyl-2,7-octadiene
CID 87449611
1-Butoxy-2,6-dimethyl-2,7-octadiene
CID 91083555

Frequently Asked Questions

What is the IUPAC name of (E,4R)-4-ethenoxy-6-methylhept-2-ene?
The IUPAC name of (E,4R)-4-ethenoxy-6-methylhept-2-ene (CID 11240610) is (E,4R)-4-ethenoxy-6-methylhept-2-ene.
What is the SMILES notation for (E,4R)-4-ethenoxy-6-methylhept-2-ene?
The canonical SMILES for (E,4R)-4-ethenoxy-6-methylhept-2-ene is C=CO[C@@H](/C=C/C)CC(C)C.
What is the InChIKey of (E,4R)-4-ethenoxy-6-methylhept-2-ene?
The InChIKey is BTACRCSQQBULCT-STUBTGCMSA-N. The full InChI is InChI=1S/C10H18O/c1-5-7-10(11-6-2)8-9(3)4/h5-7,9-10H,2,8H2,1,3-4H3/b7-5+/t10-/m0/s1.
What are the key properties of (E,4R)-4-ethenoxy-6-methylhept-2-ene?
(E,4R)-4-ethenoxy-6-methylhept-2-ene has a molecular weight of 154.25 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-4-ethenoxy-6-methylhept-2-ene is sourced from PubChem (CID 11240610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).