(E)-3-methyl-4-[(1S,2S,6R)-2-prop-1-en-2-yl-6-triethylsilyloxycyclohexyl]but-3-en-2-ol

C20H38O2Si — CID 102297330

IUPAC(E)-3-methyl-4-[(1S,2S,6R)-2-prop-1-en-2-yl-6-triethylsilyloxycyclohexyl]but-3-en-2-ol
SMILESC=C(C)[C@H]1CCC[C@@H](O[Si](CC)(CC)CC)[C@H]1/C=C(\C)C(C)O
InChIInChI=1S/C20H38O2Si/c1-8-23(9-2,10-3)22-20-13-11-12-18(15(4)5)19(20)14-16(6)17(7)21/h14,17-21H,4,8-13H2,1-3,5-7H3/b16-14+/t17?,18-,19+,20-/m1/s1
InChIKeyAMYIGHAKQWLABA-VZJJKFBGSA-N
MW338.61 g/mol
LogP5.70
Rot. Bonds8

About (E)-3-methyl-4-[(1S,2S,6R)-2-prop-1-en-2-yl-6-triethylsilyloxycyclohexyl]but-3-en-2-ol

(E)-3-methyl-4-[(1S,2S,6R)-2-prop-1-en-2-yl-6-triethylsilyloxycyclohexyl]but-3-en-2-ol (PubChem CID 102297330) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is (E)-3-methyl-4-[(1S,2S,6R)-2-prop-1-en-2-yl-6-triethylsilyloxycyclohexyl]but-3-en-2-ol.

Molecular Properties

Compound Name(E)-3-methyl-4-[(1S,2S,6R)-2-prop-1-en-2-yl-6-triethylsilyloxycyclohexyl]but-3-en-2-ol
PubChem CID102297330
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Name(E)-3-methyl-4-[(1S,2S,6R)-2-prop-1-en-2-yl-6-triethylsilyloxycyclohexyl]but-3-en-2-ol
SMILESC=C(C)[C@H]1CCC[C@@H](O[Si](CC)(CC)CC)[C@H]1/C=C(\C)C(C)O
InChIInChI=1S/C20H38O2Si/c1-8-23(9-2,10-3)22-20-13-11-12-18(15(4)5)19(20)14-16(6)17(7)21/h14,17-21H,4,8-13H2,1-3,5-7H3/b16-14+/t17?,18-,19+,20-/m1/s1
InChIKeyAMYIGHAKQWLABA-VZJJKFBGSA-N
XLogP5.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 55.70
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'}

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Launch Full Analysis

Related Compounds

cis-(1S,2R)-1-prop-1-en-2-yl-2-prop-2-enylcyclopentane
CID 11073596
(1R,2S,3R)-2-ethenyl-3-prop-1-en-2-ylcyclohexan-1-ol
CID 131042197
cis-(1R,2R)-2-prop-1-en-2-ylcyclopentan-1-ol
CID 12033954
1-[(1R,2R)-2-trimethylsilyloxycyclopentyl]ethanone
CID 15524463
cyclopropyloxy(triethyl)silane
CID 151692966
triethyl-(6-triethylsilyloxycyclohex-3-en-1-yl)oxysilane
CID 100928683
1-cyclobutyl-3-methylpentan-2-ol
CID 65459256
(3R)-3-[(3aR,4S,7aR)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]butanal
CID 140609927
(3S)-3-[(1R,3aR,4S)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]butan-1-ol
CID 70991775
(2-prop-1-en-2-ylcyclohexyl) N-ethylcarbamate
CID 122667712
[(1S,2S,3S)-2-ethenyl-1-methyl-3-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020044
(1S,4S)-4-triethylsilyloxycyclohept-2-en-1-ol
CID 135042426

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-4-[(1S,2S,6R)-2-prop-1-en-2-yl-6-triethylsilyloxycyclohexyl]but-3-en-2-ol?
The IUPAC name of (E)-3-methyl-4-[(1S,2S,6R)-2-prop-1-en-2-yl-6-triethylsilyloxycyclohexyl]but-3-en-2-ol (CID 102297330) is (E)-3-methyl-4-[(1S,2S,6R)-2-prop-1-en-2-yl-6-triethylsilyloxycyclohexyl]but-3-en-2-ol.
What is the SMILES notation for (E)-3-methyl-4-[(1S,2S,6R)-2-prop-1-en-2-yl-6-triethylsilyloxycyclohexyl]but-3-en-2-ol?
The canonical SMILES for (E)-3-methyl-4-[(1S,2S,6R)-2-prop-1-en-2-yl-6-triethylsilyloxycyclohexyl]but-3-en-2-ol is C=C(C)[C@H]1CCC[C@@H](O[Si](CC)(CC)CC)[C@H]1/C=C(\C)C(C)O.
What is the InChIKey of (E)-3-methyl-4-[(1S,2S,6R)-2-prop-1-en-2-yl-6-triethylsilyloxycyclohexyl]but-3-en-2-ol?
The InChIKey is AMYIGHAKQWLABA-VZJJKFBGSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-8-23(9-2,10-3)22-20-13-11-12-18(15(4)5)19(20)14-16(6)17(7)21/h14,17-21H,4,8-13H2,1-3,5-7H3/b16-14+/t17?,18-,19+,20-/m1/s1.
What are the key properties of (E)-3-methyl-4-[(1S,2S,6R)-2-prop-1-en-2-yl-6-triethylsilyloxycyclohexyl]but-3-en-2-ol?
(E)-3-methyl-4-[(1S,2S,6R)-2-prop-1-en-2-yl-6-triethylsilyloxycyclohexyl]but-3-en-2-ol has a molecular weight of 338.61 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-4-[(1S,2S,6R)-2-prop-1-en-2-yl-6-triethylsilyloxycyclohexyl]but-3-en-2-ol is sourced from PubChem (CID 102297330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).