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

C32H50 — CID 140598479

IUPAC(3R)-1-[2-[(3S,3aS)-2,3,4,5,6,7-hexamethyl-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=C(C)C2C(CCC3C4C(C)=C(C)C(C)=C(C)[C@H]4[C@@H](C)C3C)C(C)[C@@H](C)C2C(C)=C1C
InChIInChI=1S/C32H50/c1-15-17(3)23(9)31-27(19(5)25(11)29(31)21(15)7)13-14-28-20(6)26(12)30-22(8)16(2)18(4)24(10)32(28)30/h19-20,25-32H,13-14H2,1-12H3/t19?,20?,25-,26+,27?,28?,29-,30?,31?,32?/m0/s1
InChIKeyFIYOHYFDPQCWDG-FNCQUVOGSA-N
MW434.75 g/mol
LogP9.41
Rot. Bonds3

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

(3R)-1-[2-[(3S,3aS)-2,3,4,5,6,7-hexamethyl-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 140598479) has the molecular formula C32H50 and a molecular weight of 434.75 g/mol. Its IUPAC name is (3R)-1-[2-[(3S,3aS)-2,3,4,5,6,7-hexamethyl-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 Name(3R)-1-[2-[(3S,3aS)-2,3,4,5,6,7-hexamethyl-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 CID140598479
Molecular FormulaC32H50
Molecular Weight434.75 g/mol
Exact Mass434.39
IUPAC Name(3R)-1-[2-[(3S,3aS)-2,3,4,5,6,7-hexamethyl-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=C(C)C2C(CCC3C4C(C)=C(C)C(C)=C(C)[C@H]4[C@@H](C)C3C)C(C)[C@@H](C)C2C(C)=C1C
InChIInChI=1S/C32H50/c1-15-17(3)23(9)31-27(19(5)25(11)29(31)21(15)7)13-14-28-20(6)26(12)30-22(8)16(2)18(4)24(10)32(28)30/h19-20,25-32H,13-14H2,1-12H3/t19?,20?,25-,26+,27?,28?,29-,30?,31?,32?/m0/s1
InChIKeyFIYOHYFDPQCWDG-FNCQUVOGSA-N
XLogP9.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.75
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(3S,3aS)-2,3,4,5,6,7-hexamethyl-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 (3R)-1-[2-[(3S,3aS)-2,3,4,5,6,7-hexamethyl-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 140598479) is (3R)-1-[2-[(3S,3aS)-2,3,4,5,6,7-hexamethyl-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 (3R)-1-[2-[(3S,3aS)-2,3,4,5,6,7-hexamethyl-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 (3R)-1-[2-[(3S,3aS)-2,3,4,5,6,7-hexamethyl-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=C(C)C2C(CCC3C4C(C)=C(C)C(C)=C(C)[C@H]4[C@@H](C)C3C)C(C)[C@@H](C)C2C(C)=C1C.
What is the InChIKey of (3R)-1-[2-[(3S,3aS)-2,3,4,5,6,7-hexamethyl-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 FIYOHYFDPQCWDG-FNCQUVOGSA-N. The full InChI is InChI=1S/C32H50/c1-15-17(3)23(9)31-27(19(5)25(11)29(31)21(15)7)13-14-28-20(6)26(12)30-22(8)16(2)18(4)24(10)32(28)30/h19-20,25-32H,13-14H2,1-12H3/t19?,20?,25-,26+,27?,28?,29-,30?,31?,32?/m0/s1.
What are the key properties of (3R)-1-[2-[(3S,3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene?
(3R)-1-[2-[(3S,3aS)-2,3,4,5,6,7-hexamethyl-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 434.75 g/mol, XLogP of 9.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[(3S,3aS)-2,3,4,5,6,7-hexamethyl-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 140598479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).