(1S,4S,4aS,5S,6R,7S,8aR)-6-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol

C23H44O2Si — CID 58193152

IUPAC(1S,4S,4aS,5S,6R,7S,8aR)-6-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
SMILESC/C=C(\C)[C@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]2[C@@H](C[C@@H]1C)[C@@H](O)CC[C@@H]2C
InChIInChI=1S/C23H44O2Si/c1-10-15(2)21-17(4)13-18-20(24)12-11-16(3)22(18)19(21)14-25-26(8,9)23(5,6)7/h10,16-22,24H,11-14H2,1-9H3/b15-10+/t16-,17-,18-,19+,20-,21+,22+/m0/s1
InChIKeyMHAYOYHANDJYOB-XKYRHIJCSA-N
MW380.69 g/mol
LogP6.27
Rot. Bonds4

About (1S,4S,4aS,5S,6R,7S,8aR)-6-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol

(1S,4S,4aS,5S,6R,7S,8aR)-6-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol (PubChem CID 58193152) has the molecular formula C23H44O2Si and a molecular weight of 380.69 g/mol. Its IUPAC name is (1S,4S,4aS,5S,6R,7S,8aR)-6-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,4S,4aS,5S,6R,7S,8aR)-6-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
PubChem CID58193152
Molecular FormulaC23H44O2Si
Molecular Weight380.69 g/mol
Exact Mass380.31
IUPAC Name(1S,4S,4aS,5S,6R,7S,8aR)-6-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
SMILESC/C=C(\C)[C@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]2[C@@H](C[C@@H]1C)[C@@H](O)CC[C@@H]2C
InChIInChI=1S/C23H44O2Si/c1-10-15(2)21-17(4)13-18-20(24)12-11-16(3)22(18)19(21)14-25-26(8,9)23(5,6)7/h10,16-22,24H,11-14H2,1-9H3/b15-10+/t16-,17-,18-,19+,20-,21+,22+/m0/s1
InChIKeyMHAYOYHANDJYOB-XKYRHIJCSA-N
XLogP6.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.69
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,4S,4aS,5S,6R,7S,8aR)-6-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol 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

(1S,4S,4aS,5S,6R,7S,8aR)-6-but-2-en-2-yl-5-(hydroxymethyl)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
CID 123549203
[(1S,4S,4aS,5S,6R,7S,8aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(E)-1-iodoprop-1-en-2-yl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxy-tri(propan-2-yl)silane
CID 58193188
cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol
CID 59483083
[(1S,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopropyl]methanol
CID 11160591
tert-butyl-dimethyl-[[(2R,3R)-3-methyloxolan-2-yl]methoxy]silane
CID 102031042
(1R,2S,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-ol
CID 10767871
(3aR,4S,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 58182336
(1S,4R,7R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dimethylbicyclo[5.1.0]octan-3-ol
CID 10924524
(3S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(iodomethyl)oxolan-3-ol
CID 10595438
tert-butyl 2-[(2E)-2-[(3aS,4S,5R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]ethoxy]acetate
CID 11037335
trans-(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropan-1-amine
CID 15042667
tert-butyl-[[(1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-dimethylsilane
CID 11176597

Frequently Asked Questions

What is the IUPAC name of (1S,4S,4aS,5S,6R,7S,8aR)-6-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
The IUPAC name of (1S,4S,4aS,5S,6R,7S,8aR)-6-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol (CID 58193152) is (1S,4S,4aS,5S,6R,7S,8aR)-6-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol.
What is the SMILES notation for (1S,4S,4aS,5S,6R,7S,8aR)-6-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
The canonical SMILES for (1S,4S,4aS,5S,6R,7S,8aR)-6-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol is C/C=C(\C)[C@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]2[C@@H](C[C@@H]1C)[C@@H](O)CC[C@@H]2C.
What is the InChIKey of (1S,4S,4aS,5S,6R,7S,8aR)-6-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
The InChIKey is MHAYOYHANDJYOB-XKYRHIJCSA-N. The full InChI is InChI=1S/C23H44O2Si/c1-10-15(2)21-17(4)13-18-20(24)12-11-16(3)22(18)19(21)14-25-26(8,9)23(5,6)7/h10,16-22,24H,11-14H2,1-9H3/b15-10+/t16-,17-,18-,19+,20-,21+,22+/m0/s1.
What are the key properties of (1S,4S,4aS,5S,6R,7S,8aR)-6-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
(1S,4S,4aS,5S,6R,7S,8aR)-6-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol has a molecular weight of 380.69 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,4aS,5S,6R,7S,8aR)-6-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol is sourced from PubChem (CID 58193152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).