1-(3-methoxybutan-2-yl)cyclopenta-1,3-diene

C10H16O — CID 20605412

IUPAC1-(3-methoxybutan-2-yl)cyclopenta-1,3-diene
SMILESCOC(C)C(C)C1=CC=CC1
InChIInChI=1S/C10H16O/c1-8(9(2)11-3)10-6-4-5-7-10/h4-6,8-9H,7H2,1-3H3
InChIKeyRQVGEAOESDFVSM-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.54
Rot. Bonds3

About 1-(3-methoxybutan-2-yl)cyclopenta-1,3-diene

1-(3-methoxybutan-2-yl)cyclopenta-1,3-diene (PubChem CID 20605412) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(3-methoxybutan-2-yl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(3-methoxybutan-2-yl)cyclopenta-1,3-diene
PubChem CID20605412
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-(3-methoxybutan-2-yl)cyclopenta-1,3-diene
SMILESCOC(C)C(C)C1=CC=CC1
InChIInChI=1S/C10H16O/c1-8(9(2)11-3)10-6-4-5-7-10/h4-6,8-9H,7H2,1-3H3
InChIKeyRQVGEAOESDFVSM-UHFFFAOYSA-N
XLogP2.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tris(1-propan-2-ylcyclopenta-1,3-diene);terbium
CID 174728130
barium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene)
CID 173388440
3-(1-cyclopenta-1,3-dien-1-ylethyl)pentane-2,4-dione
CID 102592191
methyl 2-cyclopenta-1,3-dien-1-ylpropanoate
CID 22758020
1-cyclohepta-1,3,5-trien-1-ylethanethiol
CID 142981242
1-cyclopenta-1,3-dien-1-yl-N-methylethanamine
CID 12564950
1-propan-2-ylcyclohepta-1,3,5-triene
CID 20800714
1-(diethoxymethyl)cyclopenta-1,3-diene
CID 91748868
1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;zirconium(4+);trichloride
CID 173014987
2-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
CID 45088275
1-cyclopenta-1,3-dien-1-ylethylbenzene
CID 11116496
2,2-di(cyclopenta-1,3-dien-1-yl)ethanol
CID 22274817

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxybutan-2-yl)cyclopenta-1,3-diene?
The IUPAC name of 1-(3-methoxybutan-2-yl)cyclopenta-1,3-diene (CID 20605412) is 1-(3-methoxybutan-2-yl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-(3-methoxybutan-2-yl)cyclopenta-1,3-diene?
The canonical SMILES for 1-(3-methoxybutan-2-yl)cyclopenta-1,3-diene is COC(C)C(C)C1=CC=CC1.
What is the InChIKey of 1-(3-methoxybutan-2-yl)cyclopenta-1,3-diene?
The InChIKey is RQVGEAOESDFVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8(9(2)11-3)10-6-4-5-7-10/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 1-(3-methoxybutan-2-yl)cyclopenta-1,3-diene?
1-(3-methoxybutan-2-yl)cyclopenta-1,3-diene has a molecular weight of 152.24 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybutan-2-yl)cyclopenta-1,3-diene is sourced from PubChem (CID 20605412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).