carbon dioxide;3-cyclohexyl-6-methyl-1H-indene

C17H20O2 — CID 123321986

IUPACcarbon dioxide;3-cyclohexyl-6-methyl-1H-indene
SMILESCc1ccc2c(c1)CC=C2C1CCCCC1.O=C=O
InChIInChI=1S/C16H20.CO2/c1-12-7-9-16-14(11-12)8-10-15(16)13-5-3-2-4-6-13;2-1-3/h7,9-11,13H,2-6,8H2,1H3;
InChIKeyYUFDWIBMPOLOQD-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.93
Rot. Bonds1

About carbon dioxide;3-cyclohexyl-6-methyl-1H-indene

carbon dioxide;3-cyclohexyl-6-methyl-1H-indene (PubChem CID 123321986) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is carbon dioxide;3-cyclohexyl-6-methyl-1H-indene.

Molecular Properties

Compound Namecarbon dioxide;3-cyclohexyl-6-methyl-1H-indene
PubChem CID123321986
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Namecarbon dioxide;3-cyclohexyl-6-methyl-1H-indene
SMILESCc1ccc2c(c1)CC=C2C1CCCCC1.O=C=O
InChIInChI=1S/C16H20.CO2/c1-12-7-9-16-14(11-12)8-10-15(16)13-5-3-2-4-6-13;2-1-3/h7,9-11,13H,2-6,8H2,1H3;
InChIKeyYUFDWIBMPOLOQD-UHFFFAOYSA-N
XLogP3.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze carbon dioxide;3-cyclohexyl-6-methyl-1H-indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;3-cyclohexyl-6-methyl-1H-indene?
The IUPAC name of carbon dioxide;3-cyclohexyl-6-methyl-1H-indene (CID 123321986) is carbon dioxide;3-cyclohexyl-6-methyl-1H-indene.
What is the SMILES notation for carbon dioxide;3-cyclohexyl-6-methyl-1H-indene?
The canonical SMILES for carbon dioxide;3-cyclohexyl-6-methyl-1H-indene is Cc1ccc2c(c1)CC=C2C1CCCCC1.O=C=O.
What is the InChIKey of carbon dioxide;3-cyclohexyl-6-methyl-1H-indene?
The InChIKey is YUFDWIBMPOLOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20.CO2/c1-12-7-9-16-14(11-12)8-10-15(16)13-5-3-2-4-6-13;2-1-3/h7,9-11,13H,2-6,8H2,1H3;.
What are the key properties of carbon dioxide;3-cyclohexyl-6-methyl-1H-indene?
carbon dioxide;3-cyclohexyl-6-methyl-1H-indene has a molecular weight of 256.35 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;3-cyclohexyl-6-methyl-1H-indene is sourced from PubChem (CID 123321986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).