3-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol

C13H26OSi — CID 134991252

IUPAC3-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol
SMILESC[C@@H]1C=C[C@H](CCCO)C([Si](C)(C)C)C1
InChIInChI=1S/C13H26OSi/c1-11-7-8-12(6-5-9-14)13(10-11)15(2,3)4/h7-8,11-14H,5-6,9-10H2,1-4H3/t11-,12+,13?/m1/s1
InChIKeyYJLOKEZBTUIAKD-OJRHAOMCSA-N
MW226.44 g/mol
LogP3.68
Rot. Bonds4

About 3-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol

3-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol (PubChem CID 134991252) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is 3-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol
PubChem CID134991252
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name3-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol
SMILESC[C@@H]1C=C[C@H](CCCO)C([Si](C)(C)C)C1
InChIInChI=1S/C13H26OSi/c1-11-7-8-12(6-5-9-14)13(10-11)15(2,3)4/h7-8,11-14H,5-6,9-10H2,1-4H3/t11-,12+,13?/m1/s1
InChIKeyYJLOKEZBTUIAKD-OJRHAOMCSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 53.68
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'}

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Related Compounds

Methylcyclohexenyl butanol
CID 85903
p-Menth-3-en-9-ol
CID 579276
14-Methyl-8-hexadecen-1-ol
CID 5283286
1-Cyclohexene-1-butanol, gamma-methyl-
CID 66584171
P-menth-3-en-7-ol
CID 9855536
14-Methyl-8Z-hexadecen-1-ol
CID 5364690
3-(Cyclohex-2-en-1-yl)propan-1-ol
CID 12396302
(R)-(-)-(Z)-14-Methyl-8-hexadecen-1-ol
CID 12487634
3-(2-Hydroxypropyl)cyclohexene
CID 10464412
2-(4-Methylcyclohex-2-en-1-yl)propan-1-ol
CID 565256
(E)-1-cyclohexyl-4-trimethylsilylbut-3-en-1-ol
CID 12022452
(Z,14S)-14-methylhexadec-8-en-1-ol
CID 12487635

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol?
The IUPAC name of 3-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol (CID 134991252) is 3-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol.
What is the SMILES notation for 3-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol?
The canonical SMILES for 3-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol is C[C@@H]1C=C[C@H](CCCO)C([Si](C)(C)C)C1.
What is the InChIKey of 3-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol?
The InChIKey is YJLOKEZBTUIAKD-OJRHAOMCSA-N. The full InChI is InChI=1S/C13H26OSi/c1-11-7-8-12(6-5-9-14)13(10-11)15(2,3)4/h7-8,11-14H,5-6,9-10H2,1-4H3/t11-,12+,13?/m1/s1.
What are the key properties of 3-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol?
3-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol has a molecular weight of 226.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol is sourced from PubChem (CID 134991252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).