2-(3-methoxypropyl)-2,3,4,5-tetrahydro-1H-indene

C13H20O — CID 143283144

IUPAC2-(3-methoxypropyl)-2,3,4,5-tetrahydro-1H-indene
SMILESCOCCCC1CC2=C(CCC=C2)C1
InChIInChI=1S/C13H20O/c1-14-8-4-5-11-9-12-6-2-3-7-13(12)10-11/h2,6,11H,3-5,7-10H2,1H3
InChIKeyKYFABEQNLMLNFT-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.47
Rot. Bonds4

About 2-(3-methoxypropyl)-2,3,4,5-tetrahydro-1H-indene

2-(3-methoxypropyl)-2,3,4,5-tetrahydro-1H-indene (PubChem CID 143283144) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-2,3,4,5-tetrahydro-1H-indene.

Molecular Properties

Compound Name2-(3-methoxypropyl)-2,3,4,5-tetrahydro-1H-indene
PubChem CID143283144
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-(3-methoxypropyl)-2,3,4,5-tetrahydro-1H-indene
SMILESCOCCCC1CC2=C(CCC=C2)C1
InChIInChI=1S/C13H20O/c1-14-8-4-5-11-9-12-6-2-3-7-13(12)10-11/h2,6,11H,3-5,7-10H2,1H3
InChIKeyKYFABEQNLMLNFT-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-2,3,4,5-tetrahydro-1H-indene?
The IUPAC name of 2-(3-methoxypropyl)-2,3,4,5-tetrahydro-1H-indene (CID 143283144) is 2-(3-methoxypropyl)-2,3,4,5-tetrahydro-1H-indene.
What is the SMILES notation for 2-(3-methoxypropyl)-2,3,4,5-tetrahydro-1H-indene?
The canonical SMILES for 2-(3-methoxypropyl)-2,3,4,5-tetrahydro-1H-indene is COCCCC1CC2=C(CCC=C2)C1.
What is the InChIKey of 2-(3-methoxypropyl)-2,3,4,5-tetrahydro-1H-indene?
The InChIKey is KYFABEQNLMLNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-14-8-4-5-11-9-12-6-2-3-7-13(12)10-11/h2,6,11H,3-5,7-10H2,1H3.
What are the key properties of 2-(3-methoxypropyl)-2,3,4,5-tetrahydro-1H-indene?
2-(3-methoxypropyl)-2,3,4,5-tetrahydro-1H-indene has a molecular weight of 192.30 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-2,3,4,5-tetrahydro-1H-indene is sourced from PubChem (CID 143283144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).