3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol

C22H42O2Si — CID 11122130

IUPAC3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol
SMILESC=C(C)[C@@]1(O[Si](CC)(CC)CC)CCCC[C@@H]1CC(O)C(C)=C(C)C
InChIInChI=1S/C22H42O2Si/c1-9-25(10-2,11-3)24-22(18(6)7)15-13-12-14-20(22)16-21(23)19(8)17(4)5/h20-21,23H,6,9-16H2,1-5,7-8H3/t20-,21?,22+/m1/s1
InChIKeyNBKASCFDTDCMQA-QFMSAKRMSA-N
MW366.66 g/mol
LogP6.62
Rot. Bonds9

About 3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol

3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol (PubChem CID 11122130) has the molecular formula C22H42O2Si and a molecular weight of 366.66 g/mol. Its IUPAC name is 3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol.

Molecular Properties

Compound Name3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol
PubChem CID11122130
Molecular FormulaC22H42O2Si
Molecular Weight366.66 g/mol
Exact Mass366.30
IUPAC Name3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol
SMILESC=C(C)[C@@]1(O[Si](CC)(CC)CC)CCCC[C@@H]1CC(O)C(C)=C(C)C
InChIInChI=1S/C22H42O2Si/c1-9-25(10-2,11-3)24-22(18(6)7)15-13-12-14-20(22)16-21(23)19(8)17(4)5/h20-21,23H,6,9-16H2,1-5,7-8H3/t20-,21?,22+/m1/s1
InChIKeyNBKASCFDTDCMQA-QFMSAKRMSA-N
XLogP6.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.66
LogP ≤ 56.62
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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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol?
The IUPAC name of 3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol (CID 11122130) is 3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol.
What is the SMILES notation for 3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol?
The canonical SMILES for 3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol is C=C(C)[C@@]1(O[Si](CC)(CC)CC)CCCC[C@@H]1CC(O)C(C)=C(C)C.
What is the InChIKey of 3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol?
The InChIKey is NBKASCFDTDCMQA-QFMSAKRMSA-N. The full InChI is InChI=1S/C22H42O2Si/c1-9-25(10-2,11-3)24-22(18(6)7)15-13-12-14-20(22)16-21(23)19(8)17(4)5/h20-21,23H,6,9-16H2,1-5,7-8H3/t20-,21?,22+/m1/s1.
What are the key properties of 3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol?
3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol has a molecular weight of 366.66 g/mol, XLogP of 6.62, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol is sourced from PubChem (CID 11122130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).