1,3-dicyclohexyl-3aH-indene

C21H28 — CID 16685895

IUPAC1,3-dicyclohexyl-3aH-indene
SMILESC1=CC2=C(C3CCCCC3)C=C(C3CCCCC3)C2C=C1
InChIInChI=1S/C21H28/c1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20/h7-8,13-18H,1-6,9-12H2
InChIKeyHTAQXKQAODPSTK-UHFFFAOYSA-N
MW280.45 g/mol
LogP6.13
Rot. Bonds2

About 1,3-dicyclohexyl-3aH-indene

1,3-dicyclohexyl-3aH-indene (PubChem CID 16685895) has the molecular formula C21H28 and a molecular weight of 280.45 g/mol. Its IUPAC name is 1,3-dicyclohexyl-3aH-indene.

Molecular Properties

Compound Name1,3-dicyclohexyl-3aH-indene
PubChem CID16685895
Molecular FormulaC21H28
Molecular Weight280.45 g/mol
Exact Mass280.22
IUPAC Name1,3-dicyclohexyl-3aH-indene
SMILESC1=CC2=C(C3CCCCC3)C=C(C3CCCCC3)C2C=C1
InChIInChI=1S/C21H28/c1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20/h7-8,13-18H,1-6,9-12H2
InChIKeyHTAQXKQAODPSTK-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-3aH-indene?
The IUPAC name of 1,3-dicyclohexyl-3aH-indene (CID 16685895) is 1,3-dicyclohexyl-3aH-indene.
What is the SMILES notation for 1,3-dicyclohexyl-3aH-indene?
The canonical SMILES for 1,3-dicyclohexyl-3aH-indene is C1=CC2=C(C3CCCCC3)C=C(C3CCCCC3)C2C=C1.
What is the InChIKey of 1,3-dicyclohexyl-3aH-indene?
The InChIKey is HTAQXKQAODPSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28/c1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20/h7-8,13-18H,1-6,9-12H2.
What are the key properties of 1,3-dicyclohexyl-3aH-indene?
1,3-dicyclohexyl-3aH-indene has a molecular weight of 280.45 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-3aH-indene is sourced from PubChem (CID 16685895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).