(1S,4R,4aS,8aS)-1-ethenyl-4,4a,7,8a-tetramethyl-1,2,3,4,5,6-hexahydronaphthalene;uranium;hydrate

C16H27OU- — CID 154676185

IUPAC(1S,4R,4aS,8aS)-1-ethenyl-4,4a,7,8a-tetramethyl-1,2,3,4,5,6-hexahydronaphthalene;uranium;hydrate
SMILESC=[C-][C@@H]1CC[C@@H](C)[C@]2(C)CCC(C)=C[C@]12C.O.[U]
InChIInChI=1S/C16H25.H2O.U/c1-6-14-8-7-13(3)15(4)10-9-12(2)11-16(14,15)5;;/h11,13-14H,1,7-10H2,2-5H3;1H2;/q-1;;/t13-,14-,15+,16-;;/m1../s1
InChIKeyTZQGRVFALDUIQS-DZCPPAGBSA-N
MW473.42 g/mol
LogP3.95
Rot. Bonds1

About (1S,4R,4aS,8aS)-1-ethenyl-4,4a,7,8a-tetramethyl-1,2,3,4,5,6-hexahydronaphthalene;uranium;hydrate

(1S,4R,4aS,8aS)-1-ethenyl-4,4a,7,8a-tetramethyl-1,2,3,4,5,6-hexahydronaphthalene;uranium;hydrate (PubChem CID 154676185) has the molecular formula C16H27OU- and a molecular weight of 473.42 g/mol. Its IUPAC name is (1S,4R,4aS,8aS)-1-ethenyl-4,4a,7,8a-tetramethyl-1,2,3,4,5,6-hexahydronaphthalene;uranium;hydrate.

Molecular Properties

Compound Name(1S,4R,4aS,8aS)-1-ethenyl-4,4a,7,8a-tetramethyl-1,2,3,4,5,6-hexahydronaphthalene;uranium;hydrate
PubChem CID154676185
Molecular FormulaC16H27OU-
Molecular Weight473.42 g/mol
Exact Mass473.26
IUPAC Name(1S,4R,4aS,8aS)-1-ethenyl-4,4a,7,8a-tetramethyl-1,2,3,4,5,6-hexahydronaphthalene;uranium;hydrate
SMILESC=[C-][C@@H]1CC[C@@H](C)[C@]2(C)CCC(C)=C[C@]12C.O.[U]
InChIInChI=1S/C16H25.H2O.U/c1-6-14-8-7-13(3)15(4)10-9-12(2)11-16(14,15)5;;/h11,13-14H,1,7-10H2,2-5H3;1H2;/q-1;;/t13-,14-,15+,16-;;/m1../s1
InChIKeyTZQGRVFALDUIQS-DZCPPAGBSA-N
XLogP3.95
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1S,4R,4aS,8aS)-1-ethenyl-4,4a,7,8a-tetramethyl-1,2,3,4,5,6-hexahydronaphthalene;uranium;hydrate 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

(4R,5S)-2,2,4,8-tetramethyl-1,3-dioxaspiro[4.4]non-8-ene
CID 101333068
(5R,6S,9R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-one
CID 11390393
(5R,6S,9R,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol
CID 135019810
(5R,10S)-3,10-dimethyl-7-propan-2-ylspiro[4.5]deca-3,6-diene
CID 15860318
(5R,6S,9R,10S)-10-isocyano-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-ene
CID 44512489
(5S,6R,10R)-10-isocyano-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-ene
CID 171119359
3,6,9,9-tetramethyl-2,3,4,5,8,9a-hexahydro-1H-cyclopenta[8]annulen-3a-ol
CID 162871416
(1S,4S,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene
CID 102207117
(7aS)-3,3a,7a-trimethyl-7-methylidene-1,2,3,4,5,6-hexahydroindene
CID 142040575
(1R)-1,4,4,7-tetramethyl-2,3,3a,5a,8,9-hexahydro-1H-cyclopenta[c][1]benzofuran
CID 91747468
3-(1,3-dimethylcyclohex-2-en-1-yl)-1,3-dimethylcyclohexene
CID 10751327
(2S)-2-[(1R,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]-2-methyloxirane
CID 165415543

Frequently Asked Questions

What is the IUPAC name of (1S,4R,4aS,8aS)-1-ethenyl-4,4a,7,8a-tetramethyl-1,2,3,4,5,6-hexahydronaphthalene;uranium;hydrate?
The IUPAC name of (1S,4R,4aS,8aS)-1-ethenyl-4,4a,7,8a-tetramethyl-1,2,3,4,5,6-hexahydronaphthalene;uranium;hydrate (CID 154676185) is (1S,4R,4aS,8aS)-1-ethenyl-4,4a,7,8a-tetramethyl-1,2,3,4,5,6-hexahydronaphthalene;uranium;hydrate.
What is the SMILES notation for (1S,4R,4aS,8aS)-1-ethenyl-4,4a,7,8a-tetramethyl-1,2,3,4,5,6-hexahydronaphthalene;uranium;hydrate?
The canonical SMILES for (1S,4R,4aS,8aS)-1-ethenyl-4,4a,7,8a-tetramethyl-1,2,3,4,5,6-hexahydronaphthalene;uranium;hydrate is C=[C-][C@@H]1CC[C@@H](C)[C@]2(C)CCC(C)=C[C@]12C.O.[U].
What is the InChIKey of (1S,4R,4aS,8aS)-1-ethenyl-4,4a,7,8a-tetramethyl-1,2,3,4,5,6-hexahydronaphthalene;uranium;hydrate?
The InChIKey is TZQGRVFALDUIQS-DZCPPAGBSA-N. The full InChI is InChI=1S/C16H25.H2O.U/c1-6-14-8-7-13(3)15(4)10-9-12(2)11-16(14,15)5;;/h11,13-14H,1,7-10H2,2-5H3;1H2;/q-1;;/t13-,14-,15+,16-;;/m1../s1.
What are the key properties of (1S,4R,4aS,8aS)-1-ethenyl-4,4a,7,8a-tetramethyl-1,2,3,4,5,6-hexahydronaphthalene;uranium;hydrate?
(1S,4R,4aS,8aS)-1-ethenyl-4,4a,7,8a-tetramethyl-1,2,3,4,5,6-hexahydronaphthalene;uranium;hydrate has a molecular weight of 473.42 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,4aS,8aS)-1-ethenyl-4,4a,7,8a-tetramethyl-1,2,3,4,5,6-hexahydronaphthalene;uranium;hydrate is sourced from PubChem (CID 154676185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).