5-methoxy-2-methyl-3,4-dimethylidene-2-(4-methylpent-3-enyl)oxolane

C14H22O2 — CID 10585147

IUPAC5-methoxy-2-methyl-3,4-dimethylidene-2-(4-methylpent-3-enyl)oxolane
SMILESC=C1C(=C)C(C)(CCC=C(C)C)OC1OC
InChIInChI=1S/C14H22O2/c1-10(2)8-7-9-14(5)12(4)11(3)13(15-6)16-14/h8,13H,3-4,7,9H2,1-2,5-6H3
InChIKeyYNVYZRMVRVDDPP-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.61
Rot. Bonds4

About 5-methoxy-2-methyl-3,4-dimethylidene-2-(4-methylpent-3-enyl)oxolane

5-methoxy-2-methyl-3,4-dimethylidene-2-(4-methylpent-3-enyl)oxolane (PubChem CID 10585147) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-methoxy-2-methyl-3,4-dimethylidene-2-(4-methylpent-3-enyl)oxolane.

Molecular Properties

Compound Name5-methoxy-2-methyl-3,4-dimethylidene-2-(4-methylpent-3-enyl)oxolane
PubChem CID10585147
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name5-methoxy-2-methyl-3,4-dimethylidene-2-(4-methylpent-3-enyl)oxolane
SMILESC=C1C(=C)C(C)(CCC=C(C)C)OC1OC
InChIInChI=1S/C14H22O2/c1-10(2)8-7-9-14(5)12(4)11(3)13(15-6)16-14/h8,13H,3-4,7,9H2,1-2,5-6H3
InChIKeyYNVYZRMVRVDDPP-UHFFFAOYSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.61
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

(3E)-5-ethoxy-2-ethyl-3-heptylideneoxolane
CID 13973915
(2R,3R)-3-(6-methylhepta-1,5-dien-2-yl)-5-[(2-methylpropan-2-yl)oxy]-2-(2-methylprop-2-enyl)oxolane
CID 50905554
(2S)-5-methoxy-2-methyl-3,4-dimethylidene-2-(4-methylpent-3-enyl)oxolane
CID 101986646
(2S)-5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]-2-[(E)-2-methylhex-1-enyl]oxolane
CID 118243197
(2S,3S)-5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]-2-[(E)-2-methylhex-1-enyl]oxolane
CID 121338763
(2S,3S)-5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]-2-[(E)-2-methylpent-1-enyl]oxolane
CID 130470454
3-Butyl-1-methoxy-1,3,3a,4,5,6-hexahydro-2-benzofuran
CID 163708833
4-(Cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane
CID 168932661
(5S)-4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane
CID 170034463
2,2,9-Trimethyl-1,6-dioxaspiro[4.4]non-8-ene
CID 10352081
(3E)-5,5-dibutyl-3-ethylideneoxolan-2-ol
CID 10376425
(3E)-3-ethylidene-5,5-dipropyloxolan-2-ol
CID 10442733

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-3,4-dimethylidene-2-(4-methylpent-3-enyl)oxolane?
The IUPAC name of 5-methoxy-2-methyl-3,4-dimethylidene-2-(4-methylpent-3-enyl)oxolane (CID 10585147) is 5-methoxy-2-methyl-3,4-dimethylidene-2-(4-methylpent-3-enyl)oxolane.
What is the SMILES notation for 5-methoxy-2-methyl-3,4-dimethylidene-2-(4-methylpent-3-enyl)oxolane?
The canonical SMILES for 5-methoxy-2-methyl-3,4-dimethylidene-2-(4-methylpent-3-enyl)oxolane is C=C1C(=C)C(C)(CCC=C(C)C)OC1OC.
What is the InChIKey of 5-methoxy-2-methyl-3,4-dimethylidene-2-(4-methylpent-3-enyl)oxolane?
The InChIKey is YNVYZRMVRVDDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10(2)8-7-9-14(5)12(4)11(3)13(15-6)16-14/h8,13H,3-4,7,9H2,1-2,5-6H3.
What are the key properties of 5-methoxy-2-methyl-3,4-dimethylidene-2-(4-methylpent-3-enyl)oxolane?
5-methoxy-2-methyl-3,4-dimethylidene-2-(4-methylpent-3-enyl)oxolane has a molecular weight of 222.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-3,4-dimethylidene-2-(4-methylpent-3-enyl)oxolane is sourced from PubChem (CID 10585147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).