[(1S,3aS,7aS)-7a-methyl-1-(2-trimethylsilylethoxymethoxy)-2,3,6,7-tetrahydro-1H-inden-3a-yl]methanol

C17H32O3Si — CID 134934597

IUPAC[(1S,3aS,7aS)-7a-methyl-1-(2-trimethylsilylethoxymethoxy)-2,3,6,7-tetrahydro-1H-inden-3a-yl]methanol
SMILESC[C@]12CCC=C[C@@]1(CO)CC[C@@H]2OCOCC[Si](C)(C)C
InChIInChI=1S/C17H32O3Si/c1-16-8-5-6-9-17(16,13-18)10-7-15(16)20-14-19-11-12-21(2,3)4/h6,9,15,18H,5,7-8,10-14H2,1-4H3/t15-,16+,17-/m0/s1
InChIKeyNDOBSEDLGAVJMM-BBWFWOEESA-N
MW312.53 g/mol
LogP3.81
Rot. Bonds7

About [(1S,3aS,7aS)-7a-methyl-1-(2-trimethylsilylethoxymethoxy)-2,3,6,7-tetrahydro-1H-inden-3a-yl]methanol

[(1S,3aS,7aS)-7a-methyl-1-(2-trimethylsilylethoxymethoxy)-2,3,6,7-tetrahydro-1H-inden-3a-yl]methanol (PubChem CID 134934597) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is [(1S,3aS,7aS)-7a-methyl-1-(2-trimethylsilylethoxymethoxy)-2,3,6,7-tetrahydro-1H-inden-3a-yl]methanol.

Molecular Properties

Compound Name[(1S,3aS,7aS)-7a-methyl-1-(2-trimethylsilylethoxymethoxy)-2,3,6,7-tetrahydro-1H-inden-3a-yl]methanol
PubChem CID134934597
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Name[(1S,3aS,7aS)-7a-methyl-1-(2-trimethylsilylethoxymethoxy)-2,3,6,7-tetrahydro-1H-inden-3a-yl]methanol
SMILESC[C@]12CCC=C[C@@]1(CO)CC[C@@H]2OCOCC[Si](C)(C)C
InChIInChI=1S/C17H32O3Si/c1-16-8-5-6-9-17(16,13-18)10-7-15(16)20-14-19-11-12-21(2,3)4/h6,9,15,18H,5,7-8,10-14H2,1-4H3/t15-,16+,17-/m0/s1
InChIKeyNDOBSEDLGAVJMM-BBWFWOEESA-N
XLogP3.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,4E,5S,6R)-6-[(E)-but-1-enoxy]-8-methyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol
CID 102160570
(1S,5S,7aS)-7a-methyl-1-(2-trimethylsilylethoxymethoxy)-1,2,3,5,6,7-hexahydroinden-5-ol
CID 134880423
[(1S,3aS,7aS)-7a-methyl-4-propan-2-yl-1-(2-trimethylsilylethoxymethoxy)-2,3,6,7-tetrahydro-1H-inden-3a-yl]methanol
CID 134934009
(1S,3aS,4S,5S,7aR)-1-(methoxymethoxy)-3a,5,7a-trimethyl-4-(triethylsilyloxymethyl)-1,2,3,4-tetrahydroinden-5-ol
CID 134942045
(1S,2R,4Z,5S,6R)-6-[(Z)-but-1-enoxy]-8-methyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol
CID 139265902
[(1S,3aS,7aS)-7a-methyl-4-(2-methylpropyl)-1-(2-trimethylsilylethoxymethoxy)-2,3,6,7-tetrahydro-1H-inden-3a-yl]methanol
CID 162417034
CID 145814984
CID 145814984
[(1R,2S,4S)-2-[(Z,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-enyl]-4-(methoxymethoxy)cyclopentyl]methanol
CID 10971091
[(1R,2S,4S)-2-[(Z,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-enyl]-4-(methoxymethoxy)cyclopentyl]methanol
CID 11014534
[(1R,2S,4S)-2-[(E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-enyl]-4-(methoxymethoxy)cyclopentyl]methanol
CID 11079581
[(1R,2S,4S)-2-[(E,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-enyl]-4-(methoxymethoxy)cyclopentyl]methanol
CID 11731813
[(1S,3aS,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxymethyl)-7a-methyl-2,3,6,7-tetrahydro-1H-inden-3a-yl]methanol
CID 44521738

Frequently Asked Questions

What is the IUPAC name of [(1S,3aS,7aS)-7a-methyl-1-(2-trimethylsilylethoxymethoxy)-2,3,6,7-tetrahydro-1H-inden-3a-yl]methanol?
The IUPAC name of [(1S,3aS,7aS)-7a-methyl-1-(2-trimethylsilylethoxymethoxy)-2,3,6,7-tetrahydro-1H-inden-3a-yl]methanol (CID 134934597) is [(1S,3aS,7aS)-7a-methyl-1-(2-trimethylsilylethoxymethoxy)-2,3,6,7-tetrahydro-1H-inden-3a-yl]methanol.
What is the SMILES notation for [(1S,3aS,7aS)-7a-methyl-1-(2-trimethylsilylethoxymethoxy)-2,3,6,7-tetrahydro-1H-inden-3a-yl]methanol?
The canonical SMILES for [(1S,3aS,7aS)-7a-methyl-1-(2-trimethylsilylethoxymethoxy)-2,3,6,7-tetrahydro-1H-inden-3a-yl]methanol is C[C@]12CCC=C[C@@]1(CO)CC[C@@H]2OCOCC[Si](C)(C)C.
What is the InChIKey of [(1S,3aS,7aS)-7a-methyl-1-(2-trimethylsilylethoxymethoxy)-2,3,6,7-tetrahydro-1H-inden-3a-yl]methanol?
The InChIKey is NDOBSEDLGAVJMM-BBWFWOEESA-N. The full InChI is InChI=1S/C17H32O3Si/c1-16-8-5-6-9-17(16,13-18)10-7-15(16)20-14-19-11-12-21(2,3)4/h6,9,15,18H,5,7-8,10-14H2,1-4H3/t15-,16+,17-/m0/s1.
What are the key properties of [(1S,3aS,7aS)-7a-methyl-1-(2-trimethylsilylethoxymethoxy)-2,3,6,7-tetrahydro-1H-inden-3a-yl]methanol?
[(1S,3aS,7aS)-7a-methyl-1-(2-trimethylsilylethoxymethoxy)-2,3,6,7-tetrahydro-1H-inden-3a-yl]methanol has a molecular weight of 312.53 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3aS,7aS)-7a-methyl-1-(2-trimethylsilylethoxymethoxy)-2,3,6,7-tetrahydro-1H-inden-3a-yl]methanol is sourced from PubChem (CID 134934597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).