2-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene

C32H52 — CID 164666249

IUPAC2-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene
SMILESC1CCC2CC(C3CCCCC3C3CC4CCC5CCCC6CCC(C3)C4C56)CCC2C1
InChIInChI=1S/C32H52/c1-2-7-24-18-25(15-12-21(24)6-1)29-10-3-4-11-30(29)28-19-26-16-13-22-8-5-9-23-14-17-27(20-28)32(26)31(22)23/h21-32H,1-20H2
InChIKeyYUDSXANKCAAQND-UHFFFAOYSA-N
MW436.77 g/mol
LogP9.28
Rot. Bonds2

About 2-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene

2-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene (PubChem CID 164666249) has the molecular formula C32H52 and a molecular weight of 436.77 g/mol. Its IUPAC name is 2-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene.

Molecular Properties

Compound Name2-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene
PubChem CID164666249
Molecular FormulaC32H52
Molecular Weight436.77 g/mol
Exact Mass436.41
IUPAC Name2-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene
SMILESC1CCC2CC(C3CCCCC3C3CC4CCC5CCCC6CCC(C3)C4C56)CCC2C1
InChIInChI=1S/C32H52/c1-2-7-24-18-25(15-12-21(24)6-1)29-10-3-4-11-30(29)28-19-26-16-13-22-8-5-9-23-14-17-27(20-28)32(26)31(22)23/h21-32H,1-20H2
InChIKeyYUDSXANKCAAQND-UHFFFAOYSA-N
XLogP9.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.77
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene?
The IUPAC name of 2-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene (CID 164666249) is 2-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene.
What is the SMILES notation for 2-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene?
The canonical SMILES for 2-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene is C1CCC2CC(C3CCCCC3C3CC4CCC5CCCC6CCC(C3)C4C56)CCC2C1.
What is the InChIKey of 2-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene?
The InChIKey is YUDSXANKCAAQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52/c1-2-7-24-18-25(15-12-21(24)6-1)29-10-3-4-11-30(29)28-19-26-16-13-22-8-5-9-23-14-17-27(20-28)32(26)31(22)23/h21-32H,1-20H2.
What are the key properties of 2-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene?
2-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene has a molecular weight of 436.77 g/mol, XLogP of 9.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene is sourced from PubChem (CID 164666249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).