2-(4,4-dimethyloct-1-en-3-yloxy)oxane

C15H28O2 — CID 139643960

IUPAC2-(4,4-dimethyloct-1-en-3-yloxy)oxane
SMILESC=CC(OC1CCCCO1)C(C)(C)CCCC
InChIInChI=1S/C15H28O2/c1-5-7-11-15(3,4)13(6-2)17-14-10-8-9-12-16-14/h6,13-14H,2,5,7-12H2,1,3-4H3
InChIKeySFWYEESJTGNHHZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.30
Rot. Bonds7

About 2-(4,4-dimethyloct-1-en-3-yloxy)oxane

2-(4,4-dimethyloct-1-en-3-yloxy)oxane (PubChem CID 139643960) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(4,4-dimethyloct-1-en-3-yloxy)oxane.

Molecular Properties

Compound Name2-(4,4-dimethyloct-1-en-3-yloxy)oxane
PubChem CID139643960
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-(4,4-dimethyloct-1-en-3-yloxy)oxane
SMILESC=CC(OC1CCCCO1)C(C)(C)CCCC
InChIInChI=1S/C15H28O2/c1-5-7-11-15(3,4)13(6-2)17-14-10-8-9-12-16-14/h6,13-14H,2,5,7-12H2,1,3-4H3
InChIKeySFWYEESJTGNHHZ-UHFFFAOYSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.30
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-hept-1-en-3-yloxyoxane
CID 20796050
2-oct-1-en-3-yloxyoxane
CID 10727282
2-(4-methyloct-1-en-4-yloxy)oxane
CID 15877491
(3R,3aS,4S,6aR)-4-[(E)-4,4-dimethyl-3-(oxan-2-yloxy)oct-1-enyl]-3-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 18600712
(2R,3aR,4R,5R,6aS)-4-[(3R)-4,4-dimethyl-3-(oxan-2-yloxy)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 54115876
3-[8-[4,4-dimethyl-3-(oxan-2-yloxy)oct-1-enyl]-1,4-dioxaspiro[4.4]nonan-9-yl]propanal
CID 54545277
2-[3-[(E)-4,4-dimethyl-3-(oxan-2-yloxy)oct-1-enyl]-4-(oxan-2-yloxy)-1,1-dioxothiolan-2-yl]acetaldehyde
CID 88809022
2-[(2S)-but-3-en-2-yl]oxyoxane
CID 11019115
2-undec-1-en-4-yn-3-yloxyoxane
CID 100948235
(5R)-5-(oxan-2-yloxy)undec-1-en-3-ol
CID 11832481
4-[(E)-4,4-dimethyl-3-(oxan-2-yloxy)oct-1-enyl]-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 70524828
2-[(3R)-octan-3-yl]oxyoxane
CID 145000966

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyloct-1-en-3-yloxy)oxane?
The IUPAC name of 2-(4,4-dimethyloct-1-en-3-yloxy)oxane (CID 139643960) is 2-(4,4-dimethyloct-1-en-3-yloxy)oxane.
What is the SMILES notation for 2-(4,4-dimethyloct-1-en-3-yloxy)oxane?
The canonical SMILES for 2-(4,4-dimethyloct-1-en-3-yloxy)oxane is C=CC(OC1CCCCO1)C(C)(C)CCCC.
What is the InChIKey of 2-(4,4-dimethyloct-1-en-3-yloxy)oxane?
The InChIKey is SFWYEESJTGNHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-5-7-11-15(3,4)13(6-2)17-14-10-8-9-12-16-14/h6,13-14H,2,5,7-12H2,1,3-4H3.
What are the key properties of 2-(4,4-dimethyloct-1-en-3-yloxy)oxane?
2-(4,4-dimethyloct-1-en-3-yloxy)oxane has a molecular weight of 240.39 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyloct-1-en-3-yloxy)oxane is sourced from PubChem (CID 139643960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).