1-(butoxymethyl)cyclopenta-1,3-diene

C10H16O — CID 12524800

IUPAC1-(butoxymethyl)cyclopenta-1,3-diene
SMILESCCCCOCC1=CC=CC1
InChIInChI=1S/C10H16O/c1-2-3-8-11-9-10-6-4-5-7-10/h4-6H,2-3,7-9H2,1H3
InChIKeyRGFLXDPAJYBFHJ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.69
Rot. Bonds5

About 1-(butoxymethyl)cyclopenta-1,3-diene

1-(butoxymethyl)cyclopenta-1,3-diene (PubChem CID 12524800) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(butoxymethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(butoxymethyl)cyclopenta-1,3-diene
PubChem CID12524800
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-(butoxymethyl)cyclopenta-1,3-diene
SMILESCCCCOCC1=CC=CC1
InChIInChI=1S/C10H16O/c1-2-3-8-11-9-10-6-4-5-7-10/h4-6H,2-3,7-9H2,1H3
InChIKeyRGFLXDPAJYBFHJ-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.69
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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Related Compounds

(2E)-1-Ethoxy-3,7-dimethyl-2,6-octadiene
CID 5365847
2,6-Octadiene, 1-ethoxy-3,7-dimethyl-, (2Z)-
CID 6436546
1-Ethoxy-3,7-dimethylocta-2,6-diene
CID 38415
Quinceoxepine
CID 131752304
2,6-Octadiene, 3,7-dimethyl-1-(2-propenyloxy)-
CID 5362835
3-Ethyl-2,5-dihydrofuran
CID 15825450
Cyclohexene, 1-(3-ethoxy-1-propenyl)-, (Z)-
CID 5358347
2,3,6,7-Tetrahydro-4-methyl-2-((1E)-3-methyl-1,3-butadien-1-yl)oxepin
CID 14805464
4-Tert-butyl-2,7-dihydrooxepine
CID 11094828
(3E,7E,11E)-3,7,11-trimethyl-1-oxacyclotrideca-3,7,11-triene
CID 13966975
2-Butoxy-4-ethyl-1,3-hexadiene
CID 14296314
3,5-Ditert-butyl-2,7-dihydrooxepine
CID 14969639

Frequently Asked Questions

What is the IUPAC name of 1-(butoxymethyl)cyclopenta-1,3-diene?
The IUPAC name of 1-(butoxymethyl)cyclopenta-1,3-diene (CID 12524800) is 1-(butoxymethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-(butoxymethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1-(butoxymethyl)cyclopenta-1,3-diene is CCCCOCC1=CC=CC1.
What is the InChIKey of 1-(butoxymethyl)cyclopenta-1,3-diene?
The InChIKey is RGFLXDPAJYBFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-2-3-8-11-9-10-6-4-5-7-10/h4-6H,2-3,7-9H2,1H3.
What are the key properties of 1-(butoxymethyl)cyclopenta-1,3-diene?
1-(butoxymethyl)cyclopenta-1,3-diene has a molecular weight of 152.24 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butoxymethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 12524800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).