(8aS)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene

C16H26 — CID 143216402

IUPAC(8aS)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene
SMILESC1CC2CCC3CCC[C@H]4CCC(C1)C2C34
InChIInChI=1S/C16H26/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h11-16H,1-10H2/t11-,12?,13?,14?,15?,16?/m0/s1
InChIKeyBYBPEZLZCGOWIS-MGWQBKBZSA-N
MW218.38 g/mol
LogP4.64
Rot. Bonds

About (8aS)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene

(8aS)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene (PubChem CID 143216402) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is (8aS)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene.

Molecular Properties

Compound Name(8aS)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene
PubChem CID143216402
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name(8aS)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene
SMILESC1CC2CCC3CCC[C@H]4CCC(C1)C2C34
InChIInChI=1S/C16H26/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h11-16H,1-10H2/t11-,12?,13?,14?,15?,16?/m0/s1
InChIKeyBYBPEZLZCGOWIS-MGWQBKBZSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (8aS)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene with MolForge

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Related Compounds

tetracyclo[6.5.2.04,15.011,14]pentadecane
CID 91584207
tetracyclo[10.2.1.05,14.08,13]pentadecane
CID 13164121
octacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane
CID 101255308
pentacyclo[13.3.1.05,18.08,17.011,16]nonadecane
CID 59725363
tetracyclo[6.2.2.23,6.02,7]tetradecane
CID 14196498
(1R,5R)-bicyclo[3.2.0]heptane
CID 123536914
tricyclo[11.3.0.05,9]hexadecane
CID 154595560
heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane
CID 91257687
pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane
CID 123459742
tricyclo[4.3.1.12,5]undecane
CID 13070377
tricyclo[11.9.0.05,8]docosane
CID 123241919
hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane
CID 123895586

Frequently Asked Questions

What is the IUPAC name of (8aS)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene?
The IUPAC name of (8aS)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene (CID 143216402) is (8aS)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene.
What is the SMILES notation for (8aS)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene?
The canonical SMILES for (8aS)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene is C1CC2CCC3CCC[C@H]4CCC(C1)C2C34.
What is the InChIKey of (8aS)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene?
The InChIKey is BYBPEZLZCGOWIS-MGWQBKBZSA-N. The full InChI is InChI=1S/C16H26/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h11-16H,1-10H2/t11-,12?,13?,14?,15?,16?/m0/s1.
What are the key properties of (8aS)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene?
(8aS)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene has a molecular weight of 218.38 g/mol, XLogP of 4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene is sourced from PubChem (CID 143216402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).