2,3,4,4,5,6,8,8-octamethyl-1,7-dihydro-s-indacene

C20H28 — CID 173270860

IUPAC2,3,4,4,5,6,8,8-octamethyl-1,7-dihydro-s-indacene
SMILESCC1=C(C)C2=C(C1)C(C)(C)C1=C(C(C)=C(C)C1)C2(C)C
InChIInChI=1S/C20H28/c1-11-9-15-17(13(11)3)20(7,8)18-14(4)12(2)10-16(18)19(15,5)6/h9-10H2,1-8H3
InChIKeyPTCVDGVKZCKMSR-UHFFFAOYSA-N
MW268.44 g/mol
LogP6.13
Rot. Bonds

About 2,3,4,4,5,6,8,8-octamethyl-1,7-dihydro-s-indacene

2,3,4,4,5,6,8,8-octamethyl-1,7-dihydro-s-indacene (PubChem CID 173270860) has the molecular formula C20H28 and a molecular weight of 268.44 g/mol. Its IUPAC name is 2,3,4,4,5,6,8,8-octamethyl-1,7-dihydro-s-indacene.

Molecular Properties

Compound Name2,3,4,4,5,6,8,8-octamethyl-1,7-dihydro-s-indacene
PubChem CID173270860
Molecular FormulaC20H28
Molecular Weight268.44 g/mol
Exact Mass268.22
IUPAC Name2,3,4,4,5,6,8,8-octamethyl-1,7-dihydro-s-indacene
SMILESCC1=C(C)C2=C(C1)C(C)(C)C1=C(C(C)=C(C)C1)C2(C)C
InChIInChI=1S/C20H28/c1-11-9-15-17(13(11)3)20(7,8)18-14(4)12(2)10-16(18)19(15,5)6/h9-10H2,1-8H3
InChIKeyPTCVDGVKZCKMSR-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4,5,6,8,8-octamethyl-1,7-dihydro-s-indacene?
The IUPAC name of 2,3,4,4,5,6,8,8-octamethyl-1,7-dihydro-s-indacene (CID 173270860) is 2,3,4,4,5,6,8,8-octamethyl-1,7-dihydro-s-indacene.
What is the SMILES notation for 2,3,4,4,5,6,8,8-octamethyl-1,7-dihydro-s-indacene?
The canonical SMILES for 2,3,4,4,5,6,8,8-octamethyl-1,7-dihydro-s-indacene is CC1=C(C)C2=C(C1)C(C)(C)C1=C(C(C)=C(C)C1)C2(C)C.
What is the InChIKey of 2,3,4,4,5,6,8,8-octamethyl-1,7-dihydro-s-indacene?
The InChIKey is PTCVDGVKZCKMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28/c1-11-9-15-17(13(11)3)20(7,8)18-14(4)12(2)10-16(18)19(15,5)6/h9-10H2,1-8H3.
What are the key properties of 2,3,4,4,5,6,8,8-octamethyl-1,7-dihydro-s-indacene?
2,3,4,4,5,6,8,8-octamethyl-1,7-dihydro-s-indacene has a molecular weight of 268.44 g/mol, XLogP of 6.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4,5,6,8,8-octamethyl-1,7-dihydro-s-indacene is sourced from PubChem (CID 173270860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).