(2S,4aR,5R,7S)-4a-methyl-7-propan-2-yl-5-trimethylsilyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol

C17H32OSi — CID 11666321

IUPAC(2S,4aR,5R,7S)-4a-methyl-7-propan-2-yl-5-trimethylsilyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
SMILESCC(C)[C@H]1CC2=C[C@@H](O)CC[C@@]2(C)[C@H]([Si](C)(C)C)C1
InChIInChI=1S/C17H32OSi/c1-12(2)13-9-14-11-15(18)7-8-17(14,3)16(10-13)19(4,5)6/h11-13,15-16,18H,7-10H2,1-6H3/t13-,15-,16+,17+/m0/s1
InChIKeyVBWPKDOYZNYTEX-QMCVQRASSA-N
MW280.53 g/mol
LogP4.85
Rot. Bonds2

About (2S,4aR,5R,7S)-4a-methyl-7-propan-2-yl-5-trimethylsilyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol

(2S,4aR,5R,7S)-4a-methyl-7-propan-2-yl-5-trimethylsilyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol (PubChem CID 11666321) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is (2S,4aR,5R,7S)-4a-methyl-7-propan-2-yl-5-trimethylsilyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol.

Molecular Properties

Compound Name(2S,4aR,5R,7S)-4a-methyl-7-propan-2-yl-5-trimethylsilyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
PubChem CID11666321
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Name(2S,4aR,5R,7S)-4a-methyl-7-propan-2-yl-5-trimethylsilyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
SMILESCC(C)[C@H]1CC2=C[C@@H](O)CC[C@@]2(C)[C@H]([Si](C)(C)C)C1
InChIInChI=1S/C17H32OSi/c1-12(2)13-9-14-11-15(18)7-8-17(14,3)16(10-13)19(4,5)6/h11-13,15-16,18H,7-10H2,1-6H3/t13-,15-,16+,17+/m0/s1
InChIKeyVBWPKDOYZNYTEX-QMCVQRASSA-N
XLogP4.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.53
LogP ≤ 54.85
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 (2S,4aR,5R,7S)-4a-methyl-7-propan-2-yl-5-trimethylsilyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol with MolForge

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Related Compounds

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CID 15240863
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Frequently Asked Questions

What is the IUPAC name of (2S,4aR,5R,7S)-4a-methyl-7-propan-2-yl-5-trimethylsilyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol?
The IUPAC name of (2S,4aR,5R,7S)-4a-methyl-7-propan-2-yl-5-trimethylsilyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol (CID 11666321) is (2S,4aR,5R,7S)-4a-methyl-7-propan-2-yl-5-trimethylsilyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol.
What is the SMILES notation for (2S,4aR,5R,7S)-4a-methyl-7-propan-2-yl-5-trimethylsilyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol?
The canonical SMILES for (2S,4aR,5R,7S)-4a-methyl-7-propan-2-yl-5-trimethylsilyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol is CC(C)[C@H]1CC2=C[C@@H](O)CC[C@@]2(C)[C@H]([Si](C)(C)C)C1.
What is the InChIKey of (2S,4aR,5R,7S)-4a-methyl-7-propan-2-yl-5-trimethylsilyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol?
The InChIKey is VBWPKDOYZNYTEX-QMCVQRASSA-N. The full InChI is InChI=1S/C17H32OSi/c1-12(2)13-9-14-11-15(18)7-8-17(14,3)16(10-13)19(4,5)6/h11-13,15-16,18H,7-10H2,1-6H3/t13-,15-,16+,17+/m0/s1.
What are the key properties of (2S,4aR,5R,7S)-4a-methyl-7-propan-2-yl-5-trimethylsilyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol?
(2S,4aR,5R,7S)-4a-methyl-7-propan-2-yl-5-trimethylsilyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol has a molecular weight of 280.53 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4aR,5R,7S)-4a-methyl-7-propan-2-yl-5-trimethylsilyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol is sourced from PubChem (CID 11666321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).