ethane;propane;3-propan-2-ylcyclobutene;2-propan-2-yl-2,3-dihydro-1H-indene

C24H42 — CID 158532860

IUPACethane;propane;3-propan-2-ylcyclobutene;2-propan-2-yl-2,3-dihydro-1H-indene
SMILESCC.CC(C)C1C=CC1.CC(C)C1Cc2ccccc2C1.CCC
InChIInChI=1S/C12H16.C7H12.C3H8.C2H6/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-6(2)7-4-3-5-7;1-3-2;1-2/h3-6,9,12H,7-8H2,1-2H3;3-4,6-7H,5H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyHNOVZXJOQZXPKS-UHFFFAOYSA-N
MW330.60 g/mol
LogP7.72
Rot. Bonds2

About ethane;propane;3-propan-2-ylcyclobutene;2-propan-2-yl-2,3-dihydro-1H-indene

ethane;propane;3-propan-2-ylcyclobutene;2-propan-2-yl-2,3-dihydro-1H-indene (PubChem CID 158532860) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is ethane;propane;3-propan-2-ylcyclobutene;2-propan-2-yl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Nameethane;propane;3-propan-2-ylcyclobutene;2-propan-2-yl-2,3-dihydro-1H-indene
PubChem CID158532860
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Nameethane;propane;3-propan-2-ylcyclobutene;2-propan-2-yl-2,3-dihydro-1H-indene
SMILESCC.CC(C)C1C=CC1.CC(C)C1Cc2ccccc2C1.CCC
InChIInChI=1S/C12H16.C7H12.C3H8.C2H6/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-6(2)7-4-3-5-7;1-3-2;1-2/h3-6,9,12H,7-8H2,1-2H3;3-4,6-7H,5H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyHNOVZXJOQZXPKS-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;propane;3-propan-2-ylcyclobutene;2-propan-2-yl-2,3-dihydro-1H-indene?
The IUPAC name of ethane;propane;3-propan-2-ylcyclobutene;2-propan-2-yl-2,3-dihydro-1H-indene (CID 158532860) is ethane;propane;3-propan-2-ylcyclobutene;2-propan-2-yl-2,3-dihydro-1H-indene.
What is the SMILES notation for ethane;propane;3-propan-2-ylcyclobutene;2-propan-2-yl-2,3-dihydro-1H-indene?
The canonical SMILES for ethane;propane;3-propan-2-ylcyclobutene;2-propan-2-yl-2,3-dihydro-1H-indene is CC.CC(C)C1C=CC1.CC(C)C1Cc2ccccc2C1.CCC.
What is the InChIKey of ethane;propane;3-propan-2-ylcyclobutene;2-propan-2-yl-2,3-dihydro-1H-indene?
The InChIKey is HNOVZXJOQZXPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C7H12.C3H8.C2H6/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-6(2)7-4-3-5-7;1-3-2;1-2/h3-6,9,12H,7-8H2,1-2H3;3-4,6-7H,5H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;propane;3-propan-2-ylcyclobutene;2-propan-2-yl-2,3-dihydro-1H-indene?
ethane;propane;3-propan-2-ylcyclobutene;2-propan-2-yl-2,3-dihydro-1H-indene has a molecular weight of 330.60 g/mol, XLogP of 7.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;3-propan-2-ylcyclobutene;2-propan-2-yl-2,3-dihydro-1H-indene is sourced from PubChem (CID 158532860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).