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

C10H16O — CID 22555387

IUPAC2-(butoxymethyl)cyclopenta-1,3-diene
SMILESCCCCOCC1=CCC=C1
InChIInChI=1S/C10H16O/c1-2-3-8-11-9-10-6-4-5-7-10/h4,6-7H,2-3,5,8-9H2,1H3
InChIKeyLMPVPNRSUWXHCE-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.69
Rot. Bonds5

About 2-(butoxymethyl)cyclopenta-1,3-diene

2-(butoxymethyl)cyclopenta-1,3-diene (PubChem CID 22555387) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(butoxymethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name2-(butoxymethyl)cyclopenta-1,3-diene
PubChem CID22555387
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-(butoxymethyl)cyclopenta-1,3-diene
SMILESCCCCOCC1=CCC=C1
InChIInChI=1S/C10H16O/c1-2-3-8-11-9-10-6-4-5-7-10/h4,6-7H,2-3,5,8-9H2,1H3
InChIKeyLMPVPNRSUWXHCE-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

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CID 59870763
3-Hexene, 1-(2-buten-1-yloxy)-, (3Z)-
CID 89704529
(3Z)-1-(2-Buten-1-yloxy)-3-hexene
CID 92033995
2-Butene, 3-methyl-1-[(3-methyl-3-buten-1-yl)oxy]-
CID 101097
Quinceoxepine
CID 131752304
3-Ethyl-2,5-dihydrofuran
CID 15825450
(Methoxymethyl)cyclooctatetraene
CID 5370610
2,3,6,7-Tetrahydro-4-methyl-2-((1E)-3-methyl-1,3-butadien-1-yl)oxepin
CID 14805464
2-Butoxy-4-ethyl-1,3-hexadiene
CID 14296314
(3aS,4Z,6R,7E,9E)-6-methyl-8-(prop-2-enoxymethyl)-1,3,3a,6-tetrahydrocycloocta[c]furan
CID 101190186
Methoxymethylcyclopentadien
CID 82952
3-(2,5-Dihydrofuran-3-yl)-2,5-dihydrofuran
CID 10219467

Frequently Asked Questions

What is the IUPAC name of 2-(butoxymethyl)cyclopenta-1,3-diene?
The IUPAC name of 2-(butoxymethyl)cyclopenta-1,3-diene (CID 22555387) is 2-(butoxymethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 2-(butoxymethyl)cyclopenta-1,3-diene?
The canonical SMILES for 2-(butoxymethyl)cyclopenta-1,3-diene is CCCCOCC1=CCC=C1.
What is the InChIKey of 2-(butoxymethyl)cyclopenta-1,3-diene?
The InChIKey is LMPVPNRSUWXHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-2-3-8-11-9-10-6-4-5-7-10/h4,6-7H,2-3,5,8-9H2,1H3.
What are the key properties of 2-(butoxymethyl)cyclopenta-1,3-diene?
2-(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 2-(butoxymethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 22555387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).