methane;(E,5S,6R,7S,8R)-6-methoxy-5,7,8-trimethyl-10-[(Z,4R)-4-methylhex-2-enyl]peroxydec-2-ene

C22H44O3 — CID 143318262

IUPACmethane;(E,5S,6R,7S,8R)-6-methoxy-5,7,8-trimethyl-10-[(Z,4R)-4-methylhex-2-enyl]peroxydec-2-ene
SMILESC.C/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@H](C)CCOOC/C=C\[C@H](C)CC
InChIInChI=1S/C21H40O3.CH4/c1-8-10-13-19(5)21(22-7)20(6)18(4)14-16-24-23-15-11-12-17(3)9-2;/h8,10-12,17-21H,9,13-16H2,1-7H3;1H4/b10-8+,12-11-;/t17-,18-,19+,20+,21-;/m1./s1
InChIKeyHXYOQKRJFLVRKK-LQTUPADOSA-N
MW356.59 g/mol
LogP6.45
Rot. Bonds14

About methane;(E,5S,6R,7S,8R)-6-methoxy-5,7,8-trimethyl-10-[(Z,4R)-4-methylhex-2-enyl]peroxydec-2-ene

methane;(E,5S,6R,7S,8R)-6-methoxy-5,7,8-trimethyl-10-[(Z,4R)-4-methylhex-2-enyl]peroxydec-2-ene (PubChem CID 143318262) has the molecular formula C22H44O3 and a molecular weight of 356.59 g/mol. Its IUPAC name is methane;(E,5S,6R,7S,8R)-6-methoxy-5,7,8-trimethyl-10-[(Z,4R)-4-methylhex-2-enyl]peroxydec-2-ene.

Molecular Properties

Compound Namemethane;(E,5S,6R,7S,8R)-6-methoxy-5,7,8-trimethyl-10-[(Z,4R)-4-methylhex-2-enyl]peroxydec-2-ene
PubChem CID143318262
Molecular FormulaC22H44O3
Molecular Weight356.59 g/mol
Exact Mass356.33
IUPAC Namemethane;(E,5S,6R,7S,8R)-6-methoxy-5,7,8-trimethyl-10-[(Z,4R)-4-methylhex-2-enyl]peroxydec-2-ene
SMILESC.C/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@H](C)CCOOC/C=C\[C@H](C)CC
InChIInChI=1S/C21H40O3.CH4/c1-8-10-13-19(5)21(22-7)20(6)18(4)14-16-24-23-15-11-12-17(3)9-2;/h8,10-12,17-21H,9,13-16H2,1-7H3;1H4/b10-8+,12-11-;/t17-,18-,19+,20+,21-;/m1./s1
InChIKeyHXYOQKRJFLVRKK-LQTUPADOSA-N
XLogP6.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.59
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(7S,9E)-6-methoxy-7-methyl-2-methylidene-12-propan-2-yl-1-oxacyclododec-9-ene
CID 130238958
4-(1,1-Dimethoxyethyl)-1-methoxy-5-prop-1-enyldodecane
CID 149827538
7-(1,1-Dimethoxyethyl)-4-methoxypentadec-2-ene
CID 150080825
4-Methoxy-7-(2-methoxypropan-2-yl)pentadec-2-ene
CID 150096400
4-(2-Ethoxypropan-2-yl)-1-methoxy-5-prop-1-enyldodecane
CID 151021454
4-Methoxy-7-(trimethoxymethyl)pentadec-2-ene
CID 151405643
1-Methoxy-4-(2-methoxypropan-2-yl)-5-prop-1-enyldodecane
CID 151996003
7-(Dimethoxymethyl)-4-methoxyhexadec-2-ene
CID 160161705
1,4-Dimethoxy-6-prop-1-enyltridecane
CID 160252037
6-Butyl-5-ethyl-6-methylperoxyicos-7-ene
CID 176091398
10-(3-Methoxyhex-4-enyl)tricosane
CID 177721372
(E,4R,5R,6R,8R,9R,10R,12R,13R)-5,9,13-trimethoxy-4,6,8,10,12,14-hexamethylpentadec-2-ene
CID 10572115

Frequently Asked Questions

What is the IUPAC name of methane;(E,5S,6R,7S,8R)-6-methoxy-5,7,8-trimethyl-10-[(Z,4R)-4-methylhex-2-enyl]peroxydec-2-ene?
The IUPAC name of methane;(E,5S,6R,7S,8R)-6-methoxy-5,7,8-trimethyl-10-[(Z,4R)-4-methylhex-2-enyl]peroxydec-2-ene (CID 143318262) is methane;(E,5S,6R,7S,8R)-6-methoxy-5,7,8-trimethyl-10-[(Z,4R)-4-methylhex-2-enyl]peroxydec-2-ene.
What is the SMILES notation for methane;(E,5S,6R,7S,8R)-6-methoxy-5,7,8-trimethyl-10-[(Z,4R)-4-methylhex-2-enyl]peroxydec-2-ene?
The canonical SMILES for methane;(E,5S,6R,7S,8R)-6-methoxy-5,7,8-trimethyl-10-[(Z,4R)-4-methylhex-2-enyl]peroxydec-2-ene is C.C/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@H](C)CCOOC/C=C\[C@H](C)CC.
What is the InChIKey of methane;(E,5S,6R,7S,8R)-6-methoxy-5,7,8-trimethyl-10-[(Z,4R)-4-methylhex-2-enyl]peroxydec-2-ene?
The InChIKey is HXYOQKRJFLVRKK-LQTUPADOSA-N. The full InChI is InChI=1S/C21H40O3.CH4/c1-8-10-13-19(5)21(22-7)20(6)18(4)14-16-24-23-15-11-12-17(3)9-2;/h8,10-12,17-21H,9,13-16H2,1-7H3;1H4/b10-8+,12-11-;/t17-,18-,19+,20+,21-;/m1./s1.
What are the key properties of methane;(E,5S,6R,7S,8R)-6-methoxy-5,7,8-trimethyl-10-[(Z,4R)-4-methylhex-2-enyl]peroxydec-2-ene?
methane;(E,5S,6R,7S,8R)-6-methoxy-5,7,8-trimethyl-10-[(Z,4R)-4-methylhex-2-enyl]peroxydec-2-ene has a molecular weight of 356.59 g/mol, XLogP of 6.45, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(E,5S,6R,7S,8R)-6-methoxy-5,7,8-trimethyl-10-[(Z,4R)-4-methylhex-2-enyl]peroxydec-2-ene is sourced from PubChem (CID 143318262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).