cyclopenta-1,3-diene;cyclopentanol;cyclopentanone;cyclopentene;furan-2-carbaldehyde;molecular hydrogen;dihydrate

C25H42O6 — CID 158661556

IUPACcyclopenta-1,3-diene;cyclopentanol;cyclopentanone;cyclopentene;furan-2-carbaldehyde;molecular hydrogen;dihydrate
SMILESC1=CCC=C1.C1=CCCC1.O.O.O=C1CCCC1.O=Cc1ccco1.OC1CCCC1.[H][H]
InChIInChI=1S/C5H4O2.C5H10O.C5H8O.C5H8.C5H6.2H2O.H2/c6-4-5-2-1-3-7-5;2*6-5-3-1-2-4-5;2*1-2-4-5-3-1;;;/h1-4H;5-6H,1-4H2;1-4H2;1-2H,3-5H2;1-4H,5H2;2*1H2;1H
InChIKeyNBURFADLNIWVHG-UHFFFAOYSA-N
MW438.61 g/mol
LogP4.97
Rot. Bonds1

About cyclopenta-1,3-diene;cyclopentanol;cyclopentanone;cyclopentene;furan-2-carbaldehyde;molecular hydrogen;dihydrate

cyclopenta-1,3-diene;cyclopentanol;cyclopentanone;cyclopentene;furan-2-carbaldehyde;molecular hydrogen;dihydrate (PubChem CID 158661556) has the molecular formula C25H42O6 and a molecular weight of 438.61 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopentanol;cyclopentanone;cyclopentene;furan-2-carbaldehyde;molecular hydrogen;dihydrate.

Molecular Properties

Compound Namecyclopenta-1,3-diene;cyclopentanol;cyclopentanone;cyclopentene;furan-2-carbaldehyde;molecular hydrogen;dihydrate
PubChem CID158661556
Molecular FormulaC25H42O6
Molecular Weight438.61 g/mol
Exact Mass438.30
IUPAC Namecyclopenta-1,3-diene;cyclopentanol;cyclopentanone;cyclopentene;furan-2-carbaldehyde;molecular hydrogen;dihydrate
SMILESC1=CCC=C1.C1=CCCC1.O.O.O=C1CCCC1.O=Cc1ccco1.OC1CCCC1.[H][H]
InChIInChI=1S/C5H4O2.C5H10O.C5H8O.C5H8.C5H6.2H2O.H2/c6-4-5-2-1-3-7-5;2*6-5-3-1-2-4-5;2*1-2-4-5-3-1;;;/h1-4H;5-6H,1-4H2;1-4H2;1-2H,3-5H2;1-4H,5H2;2*1H2;1H
InChIKeyNBURFADLNIWVHG-UHFFFAOYSA-N
XLogP4.97
TPSA130.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.61
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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furan-2-carbaldehyde
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furan-2-carbaldehyde;nickel
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CID 175710332
furan-2-carbaldehyde;3H-furan-2-one
CID 162124020
4-hydroxycyclododecan-1-one
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formaldehyde;furan-2-carbaldehyde;propan-2-one
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furan-2-carbaldehyde phosphate
CID 20507502
ethane-1,2-diol;furan-2-carbaldehyde;2-(furan-2-yl)-1,3-dioxolane
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CID 171374623
CID 171374623

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;cyclopentanol;cyclopentanone;cyclopentene;furan-2-carbaldehyde;molecular hydrogen;dihydrate?
The IUPAC name of cyclopenta-1,3-diene;cyclopentanol;cyclopentanone;cyclopentene;furan-2-carbaldehyde;molecular hydrogen;dihydrate (CID 158661556) is cyclopenta-1,3-diene;cyclopentanol;cyclopentanone;cyclopentene;furan-2-carbaldehyde;molecular hydrogen;dihydrate.
What is the SMILES notation for cyclopenta-1,3-diene;cyclopentanol;cyclopentanone;cyclopentene;furan-2-carbaldehyde;molecular hydrogen;dihydrate?
The canonical SMILES for cyclopenta-1,3-diene;cyclopentanol;cyclopentanone;cyclopentene;furan-2-carbaldehyde;molecular hydrogen;dihydrate is C1=CCC=C1.C1=CCCC1.O.O.O=C1CCCC1.O=Cc1ccco1.OC1CCCC1.[H][H].
What is the InChIKey of cyclopenta-1,3-diene;cyclopentanol;cyclopentanone;cyclopentene;furan-2-carbaldehyde;molecular hydrogen;dihydrate?
The InChIKey is NBURFADLNIWVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2.C5H10O.C5H8O.C5H8.C5H6.2H2O.H2/c6-4-5-2-1-3-7-5;2*6-5-3-1-2-4-5;2*1-2-4-5-3-1;;;/h1-4H;5-6H,1-4H2;1-4H2;1-2H,3-5H2;1-4H,5H2;2*1H2;1H.
What are the key properties of cyclopenta-1,3-diene;cyclopentanol;cyclopentanone;cyclopentene;furan-2-carbaldehyde;molecular hydrogen;dihydrate?
cyclopenta-1,3-diene;cyclopentanol;cyclopentanone;cyclopentene;furan-2-carbaldehyde;molecular hydrogen;dihydrate has a molecular weight of 438.61 g/mol, XLogP of 4.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;cyclopentanol;cyclopentanone;cyclopentene;furan-2-carbaldehyde;molecular hydrogen;dihydrate is sourced from PubChem (CID 158661556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).