(3E)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-2,6-dihydro-1H-indene

C18H28O4 — CID 139968531

IUPAC(3E)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-2,6-dihydro-1H-indene
SMILESCOCOCC1=C2CC/C(=C(/C)COCOC)C2(C)C=CC1
InChIInChI=1S/C18H28O4/c1-14(10-21-12-19-3)16-7-8-17-15(11-22-13-20-4)6-5-9-18(16,17)2/h5,9H,6-8,10-13H2,1-4H3/b16-14+
InChIKeyOZFNUWDZPPASMW-JQIJEIRASA-N
MW308.42 g/mol
LogP3.60
Rot. Bonds8

About (3E)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-2,6-dihydro-1H-indene

(3E)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-2,6-dihydro-1H-indene (PubChem CID 139968531) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is (3E)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-2,6-dihydro-1H-indene.

Molecular Properties

Compound Name(3E)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-2,6-dihydro-1H-indene
PubChem CID139968531
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name(3E)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-2,6-dihydro-1H-indene
SMILESCOCOCC1=C2CC/C(=C(/C)COCOC)C2(C)C=CC1
InChIInChI=1S/C18H28O4/c1-14(10-21-12-19-3)16-7-8-17-15(11-22-13-20-4)6-5-9-18(16,17)2/h5,9H,6-8,10-13H2,1-4H3/b16-14+
InChIKeyOZFNUWDZPPASMW-JQIJEIRASA-N
XLogP3.60
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(3E)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-2,4-dihydro-1H-indene
CID 139968509
(3Z)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-4,5-dihydro-2H-indene
CID 139968513
(3E)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-4,5-dihydro-2H-indene
CID 139968517
(3Z)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-2,4-dihydro-1H-indene
CID 139968526
(3Z)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-2,6-dihydro-1H-indene
CID 139968527

Frequently Asked Questions

What is the IUPAC name of (3E)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-2,6-dihydro-1H-indene?
The IUPAC name of (3E)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-2,6-dihydro-1H-indene (CID 139968531) is (3E)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-2,6-dihydro-1H-indene.
What is the SMILES notation for (3E)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-2,6-dihydro-1H-indene?
The canonical SMILES for (3E)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-2,6-dihydro-1H-indene is COCOCC1=C2CC/C(=C(/C)COCOC)C2(C)C=CC1.
What is the InChIKey of (3E)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-2,6-dihydro-1H-indene?
The InChIKey is OZFNUWDZPPASMW-JQIJEIRASA-N. The full InChI is InChI=1S/C18H28O4/c1-14(10-21-12-19-3)16-7-8-17-15(11-22-13-20-4)6-5-9-18(16,17)2/h5,9H,6-8,10-13H2,1-4H3/b16-14+.
What are the key properties of (3E)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-2,6-dihydro-1H-indene?
(3E)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-2,6-dihydro-1H-indene has a molecular weight of 308.42 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-2,6-dihydro-1H-indene is sourced from PubChem (CID 139968531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).