5-(2-Methoxypropan-2-yloxy)-4-methyldec-3-ene

C15H30O2 — CID 54046044

IUPAC5-(2-methoxypropan-2-yloxy)-4-methyldec-3-ene
SMILESCCCCCC(C(=CCC)C)OC(C)(C)OC
InChIInChI=1S/C15H30O2/c1-7-9-10-12-14(13(3)11-8-2)17-15(4,5)16-6/h11,14H,7-10,12H2,1-6H3
InChIKeyLPQVDPYUIJYRQO-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.90
Rot. Bonds9

About 5-(2-Methoxypropan-2-yloxy)-4-methyldec-3-ene

5-(2-Methoxypropan-2-yloxy)-4-methyldec-3-ene (PubChem CID 54046044) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 5-(2-methoxypropan-2-yloxy)-4-methyldec-3-ene.

Molecular Properties

Compound Name5-(2-Methoxypropan-2-yloxy)-4-methyldec-3-ene
PubChem CID54046044
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name5-(2-methoxypropan-2-yloxy)-4-methyldec-3-ene
SMILESCCCCCC(C(=CCC)C)OC(C)(C)OC
InChIInChI=1S/C15H30O2/c1-7-9-10-12-14(13(3)11-8-2)17-15(4,5)16-6/h11,14H,7-10,12H2,1-6H3
InChIKeyLPQVDPYUIJYRQO-UHFFFAOYSA-N
XLogP4.90
TPSA18.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity219

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Undecene, 11,11-bis[(3,7-dimethyl-2,6-octadien-1-yl)oxy]-
CID 6437125
1-Undecene, 11,11-bis(3,7-dimethyl-2,6-octadienyl)oxy-
CID 105593
7-Methyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 11137430
[(2Z)-cyclooct-2-en-1-yl] methyl carbonate
CID 15550934
2,3-Dibutyl-4-prop-2-enyl-2,5-dihydrofuran
CID 15892523
4-Ethyl-2-heptyl-2,5-dihydrofuran
CID 57702334
1,1-Bis[(3,7-dimethyl-2,6-octadien-1-yl)oxy]nonane
CID 105592
Nonane, 1,1-bis[(3,7-dimethyl-2,6-octadien-1-yl)oxy]-
CID 6437124
4,8-Dioxaspiro[2.5]oct-1-ene, 1-butyl-6,6-dimethyl-
CID 10420216
2-Hept-1-en-2-yl-3-methyl-2,5-dihydrofuran
CID 11063019
6-methoxy-2-pentyl-3,6-dihydro-2H-pyran
CID 12462321
(9E)-2,2-diethoxy-5,6,7,8-tetrahydro-4H-cycloocta[b]furan
CID 12847453

Frequently Asked Questions

What is the IUPAC name of 5-(2-Methoxypropan-2-yloxy)-4-methyldec-3-ene?
The IUPAC name of 5-(2-Methoxypropan-2-yloxy)-4-methyldec-3-ene (CID 54046044) is 5-(2-methoxypropan-2-yloxy)-4-methyldec-3-ene.
What is the SMILES notation for 5-(2-Methoxypropan-2-yloxy)-4-methyldec-3-ene?
The canonical SMILES for 5-(2-Methoxypropan-2-yloxy)-4-methyldec-3-ene is CCCCCC(C(=CCC)C)OC(C)(C)OC.
What is the InChIKey of 5-(2-Methoxypropan-2-yloxy)-4-methyldec-3-ene?
The InChIKey is LPQVDPYUIJYRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-7-9-10-12-14(13(3)11-8-2)17-15(4,5)16-6/h11,14H,7-10,12H2,1-6H3.
What are the key properties of 5-(2-Methoxypropan-2-yloxy)-4-methyldec-3-ene?
5-(2-Methoxypropan-2-yloxy)-4-methyldec-3-ene has a molecular weight of 242.40 g/mol, XLogP of 4.90, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-Methoxypropan-2-yloxy)-4-methyldec-3-ene is sourced from PubChem (CID 54046044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).