(1S,5S,10S,11R,13S,16S)-6,6,10,16-tetramethyltetracyclo[11.2.1.02,11.05,10]hexadec-2-ene

C20H32 — CID 15109191

IUPAC(1S,5S,10S,11R,13S,16S)-6,6,10,16-tetramethyltetracyclo[11.2.1.02,11.05,10]hexadec-2-ene
SMILESC[C@H]1[C@H]2CC[C@@H]1C1=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1C2
InChIInChI=1S/C20H32/c1-13-14-6-7-15(13)16-8-9-18-19(2,3)10-5-11-20(18,4)17(16)12-14/h8,13-15,17-18H,5-7,9-12H2,1-4H3/t13-,14-,15-,17-,18-,20+/m0/s1
InChIKeyBUYCKKFBMGQMFN-RUKSUOCASA-N
MW272.48 g/mol
LogP5.83
Rot. Bonds

About (1S,5S,10S,11R,13S,16S)-6,6,10,16-tetramethyltetracyclo[11.2.1.02,11.05,10]hexadec-2-ene

(1S,5S,10S,11R,13S,16S)-6,6,10,16-tetramethyltetracyclo[11.2.1.02,11.05,10]hexadec-2-ene (PubChem CID 15109191) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is (1S,5S,10S,11R,13S,16S)-6,6,10,16-tetramethyltetracyclo[11.2.1.02,11.05,10]hexadec-2-ene.

Molecular Properties

Compound Name(1S,5S,10S,11R,13S,16S)-6,6,10,16-tetramethyltetracyclo[11.2.1.02,11.05,10]hexadec-2-ene
PubChem CID15109191
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name(1S,5S,10S,11R,13S,16S)-6,6,10,16-tetramethyltetracyclo[11.2.1.02,11.05,10]hexadec-2-ene
SMILESC[C@H]1[C@H]2CC[C@@H]1C1=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1C2
InChIInChI=1S/C20H32/c1-13-14-6-7-15(13)16-8-9-18-19(2,3)10-5-11-20(18,4)17(16)12-14/h8,13-15,17-18H,5-7,9-12H2,1-4H3/t13-,14-,15-,17-,18-,20+/m0/s1
InChIKeyBUYCKKFBMGQMFN-RUKSUOCASA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,5S,10S,11R,13S,16S)-6,6,10,16-tetramethyltetracyclo[11.2.1.02,11.05,10]hexadec-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4a,6b,9,9,12a-hexamethyl-1,2,3,4,5,6,6a,6a,7,8,8a,10,11,12,13,14b-hexadecahydropicene;ethane
CID 143713714
(9R,10S,13R,14R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene
CID 173249101
(4,4,11b-trimethyl-2,3,4a,5,6,6a,7,10,11,11a-decahydro-1H-cyclohepta[a]naphthalen-9-yl)methanamine
CID 90467256
(2S,4aS,4bR,8aR)-2-ethenyl-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthrene
CID 102043795
(1S,5R,6S,11R,15R,23S)-1,5,6,7,11,15,19,19,23-nonamethylhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacos-7-ene
CID 10743294
8,8,11a,13a-tetramethyl-3,4,5,5a,7,7a,9,10,11,11b,12,13-dodecahydrophenanthro[1,2-g][2]benzofuran-1-one
CID 163111214
(7aS,11aS,11bS)-8,8,11a-trimethyl-1,5,7,7a,9,10,11,11b-octahydrobenzo[g][2,4]benzodioxepine
CID 11994624
(7aS,11aS,11bR)-8,8,11a-trimethyl-1,5,7,7a,9,10,11,11b-octahydrobenzo[g][2,4]benzodioxepine
CID 11994623
[(1S,4aR,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
CID 7478989
3,4,4a,8,8-pentamethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-ol
CID 71336816
(1R,3S,5aS,5bR,11aS,11bR,13R,13aS,13bS)-3,5b,8,8,11a,13a-hexamethyl-1,3,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[1,2-g][2]benzofuran-1,13-diol
CID 10525181
(1S,8aS)-1-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-2-carboxylic acid
CID 50908573

Frequently Asked Questions

What is the IUPAC name of (1S,5S,10S,11R,13S,16S)-6,6,10,16-tetramethyltetracyclo[11.2.1.02,11.05,10]hexadec-2-ene?
The IUPAC name of (1S,5S,10S,11R,13S,16S)-6,6,10,16-tetramethyltetracyclo[11.2.1.02,11.05,10]hexadec-2-ene (CID 15109191) is (1S,5S,10S,11R,13S,16S)-6,6,10,16-tetramethyltetracyclo[11.2.1.02,11.05,10]hexadec-2-ene.
What is the SMILES notation for (1S,5S,10S,11R,13S,16S)-6,6,10,16-tetramethyltetracyclo[11.2.1.02,11.05,10]hexadec-2-ene?
The canonical SMILES for (1S,5S,10S,11R,13S,16S)-6,6,10,16-tetramethyltetracyclo[11.2.1.02,11.05,10]hexadec-2-ene is C[C@H]1[C@H]2CC[C@@H]1C1=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1C2.
What is the InChIKey of (1S,5S,10S,11R,13S,16S)-6,6,10,16-tetramethyltetracyclo[11.2.1.02,11.05,10]hexadec-2-ene?
The InChIKey is BUYCKKFBMGQMFN-RUKSUOCASA-N. The full InChI is InChI=1S/C20H32/c1-13-14-6-7-15(13)16-8-9-18-19(2,3)10-5-11-20(18,4)17(16)12-14/h8,13-15,17-18H,5-7,9-12H2,1-4H3/t13-,14-,15-,17-,18-,20+/m0/s1.
What are the key properties of (1S,5S,10S,11R,13S,16S)-6,6,10,16-tetramethyltetracyclo[11.2.1.02,11.05,10]hexadec-2-ene?
(1S,5S,10S,11R,13S,16S)-6,6,10,16-tetramethyltetracyclo[11.2.1.02,11.05,10]hexadec-2-ene has a molecular weight of 272.48 g/mol, XLogP of 5.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,10S,11R,13S,16S)-6,6,10,16-tetramethyltetracyclo[11.2.1.02,11.05,10]hexadec-2-ene is sourced from PubChem (CID 15109191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).