acetylene;ethanol;1-methylcyclopenta-1,3-diene

C10H16O — CID 174818884

IUPACacetylene;ethanol;1-methylcyclopenta-1,3-diene
SMILESC#C.CC1=CC=CC1.CCO
InChIInChI=1S/C6H8.C2H6O.C2H2/c1-6-4-2-3-5-6;1-2-3;1-2/h2-4H,5H2,1H3;3H,2H2,1H3;1-2H
InChIKeyMIMDYWVLFAKALQ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.14
Rot. Bonds

About acetylene;ethanol;1-methylcyclopenta-1,3-diene

acetylene;ethanol;1-methylcyclopenta-1,3-diene (PubChem CID 174818884) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is acetylene;ethanol;1-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Nameacetylene;ethanol;1-methylcyclopenta-1,3-diene
PubChem CID174818884
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Nameacetylene;ethanol;1-methylcyclopenta-1,3-diene
SMILESC#C.CC1=CC=CC1.CCO
InChIInChI=1S/C6H8.C2H6O.C2H2/c1-6-4-2-3-5-6;1-2-3;1-2/h2-4H,5H2,1H3;3H,2H2,1H3;1-2H
InChIKeyMIMDYWVLFAKALQ-UHFFFAOYSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylene;ethanol;1-methylcyclopenta-1,3-diene?
The IUPAC name of acetylene;ethanol;1-methylcyclopenta-1,3-diene (CID 174818884) is acetylene;ethanol;1-methylcyclopenta-1,3-diene.
What is the SMILES notation for acetylene;ethanol;1-methylcyclopenta-1,3-diene?
The canonical SMILES for acetylene;ethanol;1-methylcyclopenta-1,3-diene is C#C.CC1=CC=CC1.CCO.
What is the InChIKey of acetylene;ethanol;1-methylcyclopenta-1,3-diene?
The InChIKey is MIMDYWVLFAKALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8.C2H6O.C2H2/c1-6-4-2-3-5-6;1-2-3;1-2/h2-4H,5H2,1H3;3H,2H2,1H3;1-2H.
What are the key properties of acetylene;ethanol;1-methylcyclopenta-1,3-diene?
acetylene;ethanol;1-methylcyclopenta-1,3-diene has a molecular weight of 152.24 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethanol;1-methylcyclopenta-1,3-diene is sourced from PubChem (CID 174818884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).