1-[2-(5,6-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene

C28H42 — CID 162269004

IUPAC1-[2-(5,6-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESCC1=CC2CCC(CCC3C(C)C(C)C4C(C)=C(C)C(C)=C(C)C34)C2C=C1C
InChIInChI=1S/C28H42/c1-15-13-24-10-9-23(26(24)14-16(15)2)11-12-25-19(5)22(8)27-20(6)17(3)18(4)21(7)28(25)27/h13-14,19,22-28H,9-12H2,1-8H3
InChIKeyVEANSWDBVKOBIF-UHFFFAOYSA-N
MW378.64 g/mol
LogP8.14
Rot. Bonds3

About 1-[2-(5,6-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene

1-[2-(5,6-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene (PubChem CID 162269004) has the molecular formula C28H42 and a molecular weight of 378.64 g/mol. Its IUPAC name is 1-[2-(5,6-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name1-[2-(5,6-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene
PubChem CID162269004
Molecular FormulaC28H42
Molecular Weight378.64 g/mol
Exact Mass378.33
IUPAC Name1-[2-(5,6-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESCC1=CC2CCC(CCC3C(C)C(C)C4C(C)=C(C)C(C)=C(C)C34)C2C=C1C
InChIInChI=1S/C28H42/c1-15-13-24-10-9-23(26(24)14-16(15)2)11-12-25-19(5)22(8)27-20(6)17(3)18(4)21(7)28(25)27/h13-14,19,22-28H,9-12H2,1-8H3
InChIKeyVEANSWDBVKOBIF-UHFFFAOYSA-N
XLogP8.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.64
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[2-(5,6-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,6-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene?
The IUPAC name of 1-[2-(5,6-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene (CID 162269004) is 1-[2-(5,6-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene.
What is the SMILES notation for 1-[2-(5,6-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene?
The canonical SMILES for 1-[2-(5,6-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene is CC1=CC2CCC(CCC3C(C)C(C)C4C(C)=C(C)C(C)=C(C)C34)C2C=C1C.
What is the InChIKey of 1-[2-(5,6-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene?
The InChIKey is VEANSWDBVKOBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42/c1-15-13-24-10-9-23(26(24)14-16(15)2)11-12-25-19(5)22(8)27-20(6)17(3)18(4)21(7)28(25)27/h13-14,19,22-28H,9-12H2,1-8H3.
What are the key properties of 1-[2-(5,6-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene?
1-[2-(5,6-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene has a molecular weight of 378.64 g/mol, XLogP of 8.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,6-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene is sourced from PubChem (CID 162269004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).