(3R,4S)-4-ethenyl-3-(methoxymethoxy)-2,2-dimethyloctane

C14H28O2 — CID 15652078

IUPAC(3R,4S)-4-ethenyl-3-(methoxymethoxy)-2,2-dimethyloctane
SMILESC=C[C@H](CCCC)[C@@H](OCOC)C(C)(C)C
InChIInChI=1S/C14H28O2/c1-7-9-10-12(8-2)13(14(3,4)5)16-11-15-6/h8,12-13H,2,7,9-11H2,1,3-6H3/t12-,13-/m1/s1
InChIKeyFRYIGZBXRZNUAW-CHWSQXEVSA-N
MW228.38 g/mol
LogP4.01
Rot. Bonds8

About (3R,4S)-4-ethenyl-3-(methoxymethoxy)-2,2-dimethyloctane

(3R,4S)-4-ethenyl-3-(methoxymethoxy)-2,2-dimethyloctane (PubChem CID 15652078) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is (3R,4S)-4-ethenyl-3-(methoxymethoxy)-2,2-dimethyloctane.

Molecular Properties

Compound Name(3R,4S)-4-ethenyl-3-(methoxymethoxy)-2,2-dimethyloctane
PubChem CID15652078
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name(3R,4S)-4-ethenyl-3-(methoxymethoxy)-2,2-dimethyloctane
SMILESC=C[C@H](CCCC)[C@@H](OCOC)C(C)(C)C
InChIInChI=1S/C14H28O2/c1-7-9-10-12(8-2)13(14(3,4)5)16-11-15-6/h8,12-13H,2,7,9-11H2,1,3-6H3/t12-,13-/m1/s1
InChIKeyFRYIGZBXRZNUAW-CHWSQXEVSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1R,2S)-2-ethenyl-1-(methoxymethoxy)hexyl]cyclohexane
CID 15652077
(4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-ol
CID 135016264
(4R)-4-[(1S)-1-(methoxymethoxy)-2-methylpropyl]-2-methyloct-2-ene
CID 11746813
(5S,6S)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane
CID 11832053
4-(methoxymethoxy)non-1-ene
CID 14592865
dimethyl 2-[(3R)-hept-1-en-3-yl]propanedioate
CID 14170343
3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol
CID 161465176
(4R)-4-(methoxymethoxy)undec-1-ene
CID 102130866
(9R,10R)-10-ethenyl-9-methoxynonadecane
CID 102492829
10-ethenyl-11-(2-fluoroethyl)icosane
CID 57074959
3-methoxy-2,2-dimethyloctan-4-amine
CID 116724229
3-ethoxy-2,2-dimethyloctan-4-ol
CID 116713329

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-ethenyl-3-(methoxymethoxy)-2,2-dimethyloctane?
The IUPAC name of (3R,4S)-4-ethenyl-3-(methoxymethoxy)-2,2-dimethyloctane (CID 15652078) is (3R,4S)-4-ethenyl-3-(methoxymethoxy)-2,2-dimethyloctane.
What is the SMILES notation for (3R,4S)-4-ethenyl-3-(methoxymethoxy)-2,2-dimethyloctane?
The canonical SMILES for (3R,4S)-4-ethenyl-3-(methoxymethoxy)-2,2-dimethyloctane is C=C[C@H](CCCC)[C@@H](OCOC)C(C)(C)C.
What is the InChIKey of (3R,4S)-4-ethenyl-3-(methoxymethoxy)-2,2-dimethyloctane?
The InChIKey is FRYIGZBXRZNUAW-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H28O2/c1-7-9-10-12(8-2)13(14(3,4)5)16-11-15-6/h8,12-13H,2,7,9-11H2,1,3-6H3/t12-,13-/m1/s1.
What are the key properties of (3R,4S)-4-ethenyl-3-(methoxymethoxy)-2,2-dimethyloctane?
(3R,4S)-4-ethenyl-3-(methoxymethoxy)-2,2-dimethyloctane has a molecular weight of 228.38 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-ethenyl-3-(methoxymethoxy)-2,2-dimethyloctane is sourced from PubChem (CID 15652078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).