2-[(1S,2S,5R,8aR)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane

C30H56OSi — CID 10695300

IUPAC2-[(1S,2S,5R,8aR)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane
SMILESC=C(C)CCC[C@@]1(C)CCC[C@H]2C1=CC[C@H](C)[C@]2(C)CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C30H56OSi/c1-22(2)14-12-18-29(10)19-13-15-28-27(29)17-16-26(9)30(28,11)20-21-31-32(23(3)4,24(5)6)25(7)8/h17,23-26,28H,1,12-16,18-21H2,2-11H3/t26-,28-,29-,30-/m0/s1
InChIKeyZOHNRYGCIFCKLS-SYKYGTKKSA-N
MW460.86 g/mol
LogP10.09
Rot. Bonds11

About 2-[(1S,2S,5R,8aR)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane

2-[(1S,2S,5R,8aR)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane (PubChem CID 10695300) has the molecular formula C30H56OSi and a molecular weight of 460.86 g/mol. Its IUPAC name is 2-[(1S,2S,5R,8aR)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[(1S,2S,5R,8aR)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane
PubChem CID10695300
Molecular FormulaC30H56OSi
Molecular Weight460.86 g/mol
Exact Mass460.41
IUPAC Name2-[(1S,2S,5R,8aR)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane
SMILESC=C(C)CCC[C@@]1(C)CCC[C@H]2C1=CC[C@H](C)[C@]2(C)CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C30H56OSi/c1-22(2)14-12-18-29(10)19-13-15-28-27(29)17-16-26(9)30(28,11)20-21-31-32(23(3)4,24(5)6)25(7)8/h17,23-26,28H,1,12-16,18-21H2,2-11H3/t26-,28-,29-,30-/m0/s1
InChIKeyZOHNRYGCIFCKLS-SYKYGTKKSA-N
XLogP10.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.86
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(1R,4aR,5S,6S)-1,5,6-trimethyl-5-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]propan-1-ol
CID 10717812
Tert-butyl-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]-dimethylsilane
CID 12164613
Tert-butyl-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethoxy]-dimethylsilane
CID 14563308
tert-Butyldimethyl(((S)-4-((1R,2S)-1-methyl-2-(prop-1-en-2-yl)cyclobutyl)cyclohex-1-en-1-yl)methoxy)silane
CID 60147452
tert-Butyldimethyl(((S)-4-((1S,2S)-1-methyl-2-(prop-1-en-2-yl)cyclobutyl)cyclohex-1-en-1-yl)methoxy)silane
CID 60147456
tert-Butyldimethyl(((R)-4-((1S,2S)-1-methyl-2-(prop-1-en-2-yl)cyclobutyl)cyclohex-1-en-1-yl)methoxy)silane
CID 60147471
tert-Butyldimethyl(((R)-4-((1R,2S)-1-methyl-2-(prop-1-en-2-yl)cyclobutyl)cyclohex-1-en-1-yl)methoxy)silane
CID 60147477
Tert-butyl-[[6-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]cyclohexen-1-yl]methoxy]-dimethylsilane
CID 102475884
(4aS,7S)-7-tert-butyl-1,1-dimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline
CID 134889310
[(3aS,5R,7aS)-7a-methyl-5-prop-1-en-2-yl-4,5,6,7-tetrahydro-1H-inden-3a-yl]methoxy-tri(propan-2-yl)silane
CID 134945478
tri(propan-2-yl)-[[(1S,3E,7E,11R)-1,4,8-trimethyl-13-bicyclo[9.4.0]pentadeca-3,7,12-trienyl]oxy]silane
CID 134979719
Tert-butyl-dimethyl-[(4-methyl-2-pentylcyclopent-3-en-1-yl)methoxy]silane
CID 135070895

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S,5R,8aR)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane?
The IUPAC name of 2-[(1S,2S,5R,8aR)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane (CID 10695300) is 2-[(1S,2S,5R,8aR)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[(1S,2S,5R,8aR)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane?
The canonical SMILES for 2-[(1S,2S,5R,8aR)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane is C=C(C)CCC[C@@]1(C)CCC[C@H]2C1=CC[C@H](C)[C@]2(C)CCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2-[(1S,2S,5R,8aR)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane?
The InChIKey is ZOHNRYGCIFCKLS-SYKYGTKKSA-N. The full InChI is InChI=1S/C30H56OSi/c1-22(2)14-12-18-29(10)19-13-15-28-27(29)17-16-26(9)30(28,11)20-21-31-32(23(3)4,24(5)6)25(7)8/h17,23-26,28H,1,12-16,18-21H2,2-11H3/t26-,28-,29-,30-/m0/s1.
What are the key properties of 2-[(1S,2S,5R,8aR)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane?
2-[(1S,2S,5R,8aR)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane has a molecular weight of 460.86 g/mol, XLogP of 10.09, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,5R,8aR)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 10695300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).