cyclopenta-1,3-diene;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;ethane;furan;methane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3-dioxane;2-methyl-1,3-dithiane;1,3-oxazole;pyridine;3H-pyrrole;1,3-thiazole;thiophene

C73H140BN5O6S4 — CID 157484297

IUPACcyclopenta-1,3-diene;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;ethane;furan;methane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3-dioxane;2-methyl-1,3-dithiane;1,3-oxazole;pyridine;3H-pyrrole;1,3-thiazole;thiophene
SMILESC.C.C1=CCC=C1.C1=CN=CC1.CB1OCCCO1.CC.CC.CC.CC.CC.CC.CC.CC1CCC(C)CC1.CC1CCN(C)CC1.CC1OCCCO1.CC1SCCCS1.c1ccncc1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1
InChIInChI=1S/C8H16.C7H15N.C5H5N.C5H10O2.C5H10S2.C5H6.C4H9BO2.C4H5N.C4H4O.C4H4S.C3H3NO.C3H3NS.7C2H6.2CH4/c2*1-7-3-5-8(2)6-4-7;1-2-4-6-5-3-1;2*1-5-6-3-2-4-7-5;1-2-4-5-3-1;1-5-6-3-2-4-7-5;3*1-2-4-5-3-1;2*1-2-5-3-4-1;7*1-2;;/h7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;1-5H;2*5H,2-4H2,1H3;1-4H,5H2;2-4H2,1H3;1,3-4H,2H2;2*1-4H;2*1-3H;7*1-2H3;2*1H4
InChIKeyBWNHAAQYYZJZSE-UHFFFAOYSA-N
MW1323.03 g/mol
LogP24.55
Rot. Bonds

About cyclopenta-1,3-diene;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;ethane;furan;methane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3-dioxane;2-methyl-1,3-dithiane;1,3-oxazole;pyridine;3H-pyrrole;1,3-thiazole;thiophene

cyclopenta-1,3-diene;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;ethane;furan;methane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3-dioxane;2-methyl-1,3-dithiane;1,3-oxazole;pyridine;3H-pyrrole;1,3-thiazole;thiophene (PubChem CID 157484297) has the molecular formula C73H140BN5O6S4 and a molecular weight of 1323.03 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;ethane;furan;methane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3-dioxane;2-methyl-1,3-dithiane;1,3-oxazole;pyridine;3H-pyrrole;1,3-thiazole;thiophene.

Molecular Properties

Compound Namecyclopenta-1,3-diene;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;ethane;furan;methane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3-dioxane;2-methyl-1,3-dithiane;1,3-oxazole;pyridine;3H-pyrrole;1,3-thiazole;thiophene
PubChem CID157484297
Molecular FormulaC73H140BN5O6S4
Molecular Weight1323.03 g/mol
Exact Mass1321.98
IUPAC Namecyclopenta-1,3-diene;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;ethane;furan;methane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3-dioxane;2-methyl-1,3-dithiane;1,3-oxazole;pyridine;3H-pyrrole;1,3-thiazole;thiophene
SMILESC.C.C1=CCC=C1.C1=CN=CC1.CB1OCCCO1.CC.CC.CC.CC.CC.CC.CC.CC1CCC(C)CC1.CC1CCN(C)CC1.CC1OCCCO1.CC1SCCCS1.c1ccncc1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1
InChIInChI=1S/C8H16.C7H15N.C5H5N.C5H10O2.C5H10S2.C5H6.C4H9BO2.C4H5N.C4H4O.C4H4S.C3H3NO.C3H3NS.7C2H6.2CH4/c2*1-7-3-5-8(2)6-4-7;1-2-4-6-5-3-1;2*1-5-6-3-2-4-7-5;1-2-4-5-3-1;1-5-6-3-2-4-7-5;3*1-2-4-5-3-1;2*1-2-5-3-4-1;7*1-2;;/h7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;1-5H;2*5H,2-4H2,1H3;1-4H,5H2;2-4H2,1H3;1,3-4H,2H2;2*1-4H;2*1-3H;7*1-2H3;2*1H4
InChIKeyBWNHAAQYYZJZSE-UHFFFAOYSA-N
XLogP24.55
TPSA117.47 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001323.03
LogP ≤ 524.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze cyclopenta-1,3-diene;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;ethane;furan;methane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3-dioxane;2-methyl-1,3-dithiane;1,3-oxazole;pyridine;3H-pyrrole;1,3-thiazole;thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;ethane;furan;methane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3-dioxane;2-methyl-1,3-dithiane;1,3-oxazole;pyridine;3H-pyrrole;1,3-thiazole;thiophene?
The IUPAC name of cyclopenta-1,3-diene;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;ethane;furan;methane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3-dioxane;2-methyl-1,3-dithiane;1,3-oxazole;pyridine;3H-pyrrole;1,3-thiazole;thiophene (CID 157484297) is cyclopenta-1,3-diene;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;ethane;furan;methane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3-dioxane;2-methyl-1,3-dithiane;1,3-oxazole;pyridine;3H-pyrrole;1,3-thiazole;thiophene.
What is the SMILES notation for cyclopenta-1,3-diene;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;ethane;furan;methane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3-dioxane;2-methyl-1,3-dithiane;1,3-oxazole;pyridine;3H-pyrrole;1,3-thiazole;thiophene?
The canonical SMILES for cyclopenta-1,3-diene;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;ethane;furan;methane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3-dioxane;2-methyl-1,3-dithiane;1,3-oxazole;pyridine;3H-pyrrole;1,3-thiazole;thiophene is C.C.C1=CCC=C1.C1=CN=CC1.CB1OCCCO1.CC.CC.CC.CC.CC.CC.CC.CC1CCC(C)CC1.CC1CCN(C)CC1.CC1OCCCO1.CC1SCCCS1.c1ccncc1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1.
What is the InChIKey of cyclopenta-1,3-diene;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;ethane;furan;methane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3-dioxane;2-methyl-1,3-dithiane;1,3-oxazole;pyridine;3H-pyrrole;1,3-thiazole;thiophene?
The InChIKey is BWNHAAQYYZJZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C7H15N.C5H5N.C5H10O2.C5H10S2.C5H6.C4H9BO2.C4H5N.C4H4O.C4H4S.C3H3NO.C3H3NS.7C2H6.2CH4/c2*1-7-3-5-8(2)6-4-7;1-2-4-6-5-3-1;2*1-5-6-3-2-4-7-5;1-2-4-5-3-1;1-5-6-3-2-4-7-5;3*1-2-4-5-3-1;2*1-2-5-3-4-1;7*1-2;;/h7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;1-5H;2*5H,2-4H2,1H3;1-4H,5H2;2-4H2,1H3;1,3-4H,2H2;2*1-4H;2*1-3H;7*1-2H3;2*1H4.
What are the key properties of cyclopenta-1,3-diene;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;ethane;furan;methane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3-dioxane;2-methyl-1,3-dithiane;1,3-oxazole;pyridine;3H-pyrrole;1,3-thiazole;thiophene?
cyclopenta-1,3-diene;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;ethane;furan;methane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3-dioxane;2-methyl-1,3-dithiane;1,3-oxazole;pyridine;3H-pyrrole;1,3-thiazole;thiophene has a molecular weight of 1323.03 g/mol, XLogP of 24.55, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;ethane;furan;methane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3-dioxane;2-methyl-1,3-dithiane;1,3-oxazole;pyridine;3H-pyrrole;1,3-thiazole;thiophene is sourced from PubChem (CID 157484297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).