(3E)-1-methoxy-2-methyl-3-(3-prop-2-enoxypropylidene)-1,2-dihydroindene

C17H22O2 — CID 16759045

IUPAC(3E)-1-methoxy-2-methyl-3-(3-prop-2-enoxypropylidene)-1,2-dihydroindene
SMILESC=CCOCC/C=C1/c2ccccc2C(OC)C1C
InChIInChI=1S/C17H22O2/c1-4-11-19-12-7-10-14-13(2)17(18-3)16-9-6-5-8-15(14)16/h4-6,8-10,13,17H,1,7,11-12H2,2-3H3/b14-10+
InChIKeyXNZDUOBXSCICTB-GXDHUFHOSA-N
MW258.36 g/mol
LogP4.00
Rot. Bonds6

About (3E)-1-methoxy-2-methyl-3-(3-prop-2-enoxypropylidene)-1,2-dihydroindene

(3E)-1-methoxy-2-methyl-3-(3-prop-2-enoxypropylidene)-1,2-dihydroindene (PubChem CID 16759045) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is (3E)-1-methoxy-2-methyl-3-(3-prop-2-enoxypropylidene)-1,2-dihydroindene.

Molecular Properties

Compound Name(3E)-1-methoxy-2-methyl-3-(3-prop-2-enoxypropylidene)-1,2-dihydroindene
PubChem CID16759045
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name(3E)-1-methoxy-2-methyl-3-(3-prop-2-enoxypropylidene)-1,2-dihydroindene
SMILESC=CCOCC/C=C1/c2ccccc2C(OC)C1C
InChIInChI=1S/C17H22O2/c1-4-11-19-12-7-10-14-13(2)17(18-3)16-9-6-5-8-15(14)16/h4-6,8-10,13,17H,1,7,11-12H2,2-3H3/b14-10+
InChIKeyXNZDUOBXSCICTB-GXDHUFHOSA-N
XLogP4.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-1-methoxy-2-methyl-3-(3-prop-2-enoxypropylidene)-1,2-dihydroindene?
The IUPAC name of (3E)-1-methoxy-2-methyl-3-(3-prop-2-enoxypropylidene)-1,2-dihydroindene (CID 16759045) is (3E)-1-methoxy-2-methyl-3-(3-prop-2-enoxypropylidene)-1,2-dihydroindene.
What is the SMILES notation for (3E)-1-methoxy-2-methyl-3-(3-prop-2-enoxypropylidene)-1,2-dihydroindene?
The canonical SMILES for (3E)-1-methoxy-2-methyl-3-(3-prop-2-enoxypropylidene)-1,2-dihydroindene is C=CCOCC/C=C1/c2ccccc2C(OC)C1C.
What is the InChIKey of (3E)-1-methoxy-2-methyl-3-(3-prop-2-enoxypropylidene)-1,2-dihydroindene?
The InChIKey is XNZDUOBXSCICTB-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H22O2/c1-4-11-19-12-7-10-14-13(2)17(18-3)16-9-6-5-8-15(14)16/h4-6,8-10,13,17H,1,7,11-12H2,2-3H3/b14-10+.
What are the key properties of (3E)-1-methoxy-2-methyl-3-(3-prop-2-enoxypropylidene)-1,2-dihydroindene?
(3E)-1-methoxy-2-methyl-3-(3-prop-2-enoxypropylidene)-1,2-dihydroindene has a molecular weight of 258.36 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-methoxy-2-methyl-3-(3-prop-2-enoxypropylidene)-1,2-dihydroindene is sourced from PubChem (CID 16759045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).