7-(3-methoxypropyl)cyclopenta[b]pyran

C12H14O2 — CID 91350860

IUPAC7-(3-methoxypropyl)cyclopenta[b]pyran
SMILESCOCCCc1ccc2cccoc1-2
InChIInChI=1S/C12H14O2/c1-13-8-2-4-10-6-7-11-5-3-9-14-12(10)11/h3,5-7,9H,2,4,8H2,1H3
InChIKeyHPDHMUAFSULOHO-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.96
Rot. Bonds4

About 7-(3-methoxypropyl)cyclopenta[b]pyran

7-(3-methoxypropyl)cyclopenta[b]pyran (PubChem CID 91350860) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 7-(3-methoxypropyl)cyclopenta[b]pyran.

Molecular Properties

Compound Name7-(3-methoxypropyl)cyclopenta[b]pyran
PubChem CID91350860
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name7-(3-methoxypropyl)cyclopenta[b]pyran
SMILESCOCCCc1ccc2cccoc1-2
InChIInChI=1S/C12H14O2/c1-13-8-2-4-10-6-7-11-5-3-9-14-12(10)11/h3,5-7,9H,2,4,8H2,1H3
InChIKeyHPDHMUAFSULOHO-UHFFFAOYSA-N
XLogP2.96
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(3-methoxypropyl)furan
CID 144595726
2-[4-(3-methoxypropoxy)phenyl]furan
CID 168527685
2-(2-methoxyethyl)furan
CID 19010334
2-fluoro-4-(2-fluorophenyl)-1-(3-methoxypropyl)benzene
CID 59931454
1-(bromomethyl)-2-(3-methoxypropyl)benzene
CID 59382353
3-(6-methoxyhexyl)-1-benzofuran
CID 67274703
1-(furan-2-yl)-4-methoxybutan-1-amine
CID 62716134
N-[1-(furan-2-yl)ethyl]-3-methoxypropan-1-amine
CID 43205063
2-bromo-1-ethyl-3-(3-methoxypropyl)benzene
CID 70214419
1-(furan-2-yl)-2-(4-methoxybutylamino)ethanol
CID 60969452
4-(furan-2-yl)-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine
CID 103178791
N-(4-methoxybutyl)furan-2-carboxamide
CID 60769533

Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxypropyl)cyclopenta[b]pyran?
The IUPAC name of 7-(3-methoxypropyl)cyclopenta[b]pyran (CID 91350860) is 7-(3-methoxypropyl)cyclopenta[b]pyran.
What is the SMILES notation for 7-(3-methoxypropyl)cyclopenta[b]pyran?
The canonical SMILES for 7-(3-methoxypropyl)cyclopenta[b]pyran is COCCCc1ccc2cccoc1-2.
What is the InChIKey of 7-(3-methoxypropyl)cyclopenta[b]pyran?
The InChIKey is HPDHMUAFSULOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-13-8-2-4-10-6-7-11-5-3-9-14-12(10)11/h3,5-7,9H,2,4,8H2,1H3.
What are the key properties of 7-(3-methoxypropyl)cyclopenta[b]pyran?
7-(3-methoxypropyl)cyclopenta[b]pyran has a molecular weight of 190.24 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxypropyl)cyclopenta[b]pyran is sourced from PubChem (CID 91350860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).