(1S,4R,4aS,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-1-trimethylsilyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol

C18H34OSi — CID 15726787

IUPAC(1S,4R,4aS,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-1-trimethylsilyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
SMILESC=C(C)[C@@H]1CC[C@@]2(C)[C@@H]([Si](C)(C)C)CC[C@@H](C)[C@@]2(O)C1
InChIInChI=1S/C18H34OSi/c1-13(2)15-10-11-17(4)16(20(5,6)7)9-8-14(3)18(17,19)12-15/h14-16,19H,1,8-12H2,2-7H3/t14-,15-,16+,17+,18+/m1/s1
InChIKeyCGGNXLSZXABNDS-ZBRFXRBCSA-N
MW294.56 g/mol
LogP5.24
Rot. Bonds2

About (1S,4R,4aS,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-1-trimethylsilyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol

(1S,4R,4aS,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-1-trimethylsilyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol (PubChem CID 15726787) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is (1S,4R,4aS,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-1-trimethylsilyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol.

Molecular Properties

Compound Name(1S,4R,4aS,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-1-trimethylsilyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
PubChem CID15726787
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Name(1S,4R,4aS,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-1-trimethylsilyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
SMILESC=C(C)[C@@H]1CC[C@@]2(C)[C@@H]([Si](C)(C)C)CC[C@@H](C)[C@@]2(O)C1
InChIInChI=1S/C18H34OSi/c1-13(2)15-10-11-17(4)16(20(5,6)7)9-8-14(3)18(17,19)12-15/h14-16,19H,1,8-12H2,2-7H3/t14-,15-,16+,17+,18+/m1/s1
InChIKeyCGGNXLSZXABNDS-ZBRFXRBCSA-N
XLogP5.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,4R,4aS,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-1-trimethylsilyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,4R,4aS,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-1-trimethylsilyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol?
The IUPAC name of (1S,4R,4aS,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-1-trimethylsilyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol (CID 15726787) is (1S,4R,4aS,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-1-trimethylsilyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol.
What is the SMILES notation for (1S,4R,4aS,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-1-trimethylsilyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol?
The canonical SMILES for (1S,4R,4aS,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-1-trimethylsilyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol is C=C(C)[C@@H]1CC[C@@]2(C)[C@@H]([Si](C)(C)C)CC[C@@H](C)[C@@]2(O)C1.
What is the InChIKey of (1S,4R,4aS,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-1-trimethylsilyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol?
The InChIKey is CGGNXLSZXABNDS-ZBRFXRBCSA-N. The full InChI is InChI=1S/C18H34OSi/c1-13(2)15-10-11-17(4)16(20(5,6)7)9-8-14(3)18(17,19)12-15/h14-16,19H,1,8-12H2,2-7H3/t14-,15-,16+,17+,18+/m1/s1.
What are the key properties of (1S,4R,4aS,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-1-trimethylsilyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol?
(1S,4R,4aS,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-1-trimethylsilyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol has a molecular weight of 294.56 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,4aS,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-1-trimethylsilyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol is sourced from PubChem (CID 15726787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).