2-methyl-3-methylidene-2-(4-methylpent-3-enyl)-6-prop-2-enoxyoxane

C16H26O2 — CID 10933943

IUPAC2-methyl-3-methylidene-2-(4-methylpent-3-enyl)-6-prop-2-enoxyoxane
SMILESC=CCOC1CCC(=C)C(C)(CCC=C(C)C)O1
InChIInChI=1S/C16H26O2/c1-6-12-17-15-10-9-14(4)16(5,18-15)11-7-8-13(2)3/h6,8,15H,1,4,7,9-12H2,2-3,5H3
InChIKeyPRYWPOPHQUVAJX-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.39
Rot. Bonds6

About 2-methyl-3-methylidene-2-(4-methylpent-3-enyl)-6-prop-2-enoxyoxane

2-methyl-3-methylidene-2-(4-methylpent-3-enyl)-6-prop-2-enoxyoxane (PubChem CID 10933943) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-methyl-3-methylidene-2-(4-methylpent-3-enyl)-6-prop-2-enoxyoxane.

Molecular Properties

Compound Name2-methyl-3-methylidene-2-(4-methylpent-3-enyl)-6-prop-2-enoxyoxane
PubChem CID10933943
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2-methyl-3-methylidene-2-(4-methylpent-3-enyl)-6-prop-2-enoxyoxane
SMILESC=CCOC1CCC(=C)C(C)(CCC=C(C)C)O1
InChIInChI=1S/C16H26O2/c1-6-12-17-15-10-9-14(4)16(5,18-15)11-7-8-13(2)3/h6,8,15H,1,4,7,9-12H2,2-3,5H3
InChIKeyPRYWPOPHQUVAJX-UHFFFAOYSA-N
XLogP4.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.39
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

2H-Pyran, 2-[(1-ethenyl-1,5-dimethyl-4-hexenyl)oxy]tetrahydro-
CID 558950
(2R,3S,4R,6R)-2-ethenyl-3-ethyl-4-(methoxymethoxy)-6-[(E,2S,3R,4S)-3-methoxy-4-methyloct-6-en-2-yl]oxane
CID 46855104
2-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxane
CID 12526350
1-[1-(3,7-Dimethylocta-1,6-dien-3-yloxy)ethoxy]octadecane
CID 21338174
1-[dec-9-enoxy-[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-4-methoxycyclohexane
CID 140427863
2-[(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10-trien-3-yl]oxyoxane
CID 141142927
2-Ethoxy-5-methylidene-1-oxaspiro[5.5]undecane
CID 10703678
2-[4-[(1S,4R)-3-(methoxymethyl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]butoxy]oxane
CID 10708804
6-Methyl-5-methylidene-6-(4-methylpent-3-enyl)oxan-2-ol
CID 10899887
2-Methyl-3-methylidene-2-(2-methylpropyl)-6-prop-2-enoxyoxane
CID 11020550
5-Methylidene-2-prop-2-enoxy-1-oxaspiro[5.5]undecane
CID 11127890
2-[(4-Prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane
CID 11680270

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylidene-2-(4-methylpent-3-enyl)-6-prop-2-enoxyoxane?
The IUPAC name of 2-methyl-3-methylidene-2-(4-methylpent-3-enyl)-6-prop-2-enoxyoxane (CID 10933943) is 2-methyl-3-methylidene-2-(4-methylpent-3-enyl)-6-prop-2-enoxyoxane.
What is the SMILES notation for 2-methyl-3-methylidene-2-(4-methylpent-3-enyl)-6-prop-2-enoxyoxane?
The canonical SMILES for 2-methyl-3-methylidene-2-(4-methylpent-3-enyl)-6-prop-2-enoxyoxane is C=CCOC1CCC(=C)C(C)(CCC=C(C)C)O1.
What is the InChIKey of 2-methyl-3-methylidene-2-(4-methylpent-3-enyl)-6-prop-2-enoxyoxane?
The InChIKey is PRYWPOPHQUVAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-6-12-17-15-10-9-14(4)16(5,18-15)11-7-8-13(2)3/h6,8,15H,1,4,7,9-12H2,2-3,5H3.
What are the key properties of 2-methyl-3-methylidene-2-(4-methylpent-3-enyl)-6-prop-2-enoxyoxane?
2-methyl-3-methylidene-2-(4-methylpent-3-enyl)-6-prop-2-enoxyoxane has a molecular weight of 250.38 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylidene-2-(4-methylpent-3-enyl)-6-prop-2-enoxyoxane is sourced from PubChem (CID 10933943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).