3-[(1S,2R,6S)-1,2-dimethyl-6-prop-2-enylcyclohexyl]prop-1-ynoxy-tri(propan-2-yl)silane

C23H42OSi — CID 11233807

IUPAC3-[(1S,2R,6S)-1,2-dimethyl-6-prop-2-enylcyclohexyl]prop-1-ynoxy-tri(propan-2-yl)silane
SMILESC=CC[C@@H]1CCC[C@@H](C)[C@]1(C)CC#CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H42OSi/c1-10-13-22-15-11-14-21(8)23(22,9)16-12-17-24-25(18(2)3,19(4)5)20(6)7/h10,18-22H,1,11,13-16H2,2-9H3/t21-,22-,23+/m1/s1
InChIKeyOLXCLWBLGYEFRZ-ZLNRFVROSA-N
MW362.67 g/mol
LogP7.55
Rot. Bonds7

About 3-[(1S,2R,6S)-1,2-dimethyl-6-prop-2-enylcyclohexyl]prop-1-ynoxy-tri(propan-2-yl)silane

3-[(1S,2R,6S)-1,2-dimethyl-6-prop-2-enylcyclohexyl]prop-1-ynoxy-tri(propan-2-yl)silane (PubChem CID 11233807) has the molecular formula C23H42OSi and a molecular weight of 362.67 g/mol. Its IUPAC name is 3-[(1S,2R,6S)-1,2-dimethyl-6-prop-2-enylcyclohexyl]prop-1-ynoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3-[(1S,2R,6S)-1,2-dimethyl-6-prop-2-enylcyclohexyl]prop-1-ynoxy-tri(propan-2-yl)silane
PubChem CID11233807
Molecular FormulaC23H42OSi
Molecular Weight362.67 g/mol
Exact Mass362.30
IUPAC Name3-[(1S,2R,6S)-1,2-dimethyl-6-prop-2-enylcyclohexyl]prop-1-ynoxy-tri(propan-2-yl)silane
SMILESC=CC[C@@H]1CCC[C@@H](C)[C@]1(C)CC#CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H42OSi/c1-10-13-22-15-11-14-21(8)23(22,9)16-12-17-24-25(18(2)3,19(4)5)20(6)7/h10,18-22H,1,11,13-16H2,2-9H3/t21-,22-,23+/m1/s1
InChIKeyOLXCLWBLGYEFRZ-ZLNRFVROSA-N
XLogP7.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.67
LogP ≤ 57.55
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[(1S,2R,6S)-1,2-dimethyl-6-prop-2-enylcyclohexyl]prop-1-ynoxy-tri(propan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

t-Butyl-[4-(2,2-dimethyl-6-methylene-cyclohexyl)-but-1-enyloxy]-dimethyl-silane
CID 5366436
t-Butyl-[3-(2,2-dimethyl-6-methylenecyclohexyl)propenyloxy]dimethylsilane
CID 5366648
Cyclohexane, 1,1-dimethyl-3-methylene-2-[3-(t-butyldimethylsilyloxy)-2-propenyl)-, (Z)-
CID 5366649
2-[1,2-Bis(ethenyl)cyclohexyl]ethyl-triethoxysilane
CID 66694493
CID 87248127
CID 87248127
[(4R,6S)-4,6-ditert-butyloct-7-en-1-ynoxy]-dimethylsilane
CID 123559411

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2R,6S)-1,2-dimethyl-6-prop-2-enylcyclohexyl]prop-1-ynoxy-tri(propan-2-yl)silane?
The IUPAC name of 3-[(1S,2R,6S)-1,2-dimethyl-6-prop-2-enylcyclohexyl]prop-1-ynoxy-tri(propan-2-yl)silane (CID 11233807) is 3-[(1S,2R,6S)-1,2-dimethyl-6-prop-2-enylcyclohexyl]prop-1-ynoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 3-[(1S,2R,6S)-1,2-dimethyl-6-prop-2-enylcyclohexyl]prop-1-ynoxy-tri(propan-2-yl)silane?
The canonical SMILES for 3-[(1S,2R,6S)-1,2-dimethyl-6-prop-2-enylcyclohexyl]prop-1-ynoxy-tri(propan-2-yl)silane is C=CC[C@@H]1CCC[C@@H](C)[C@]1(C)CC#CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-[(1S,2R,6S)-1,2-dimethyl-6-prop-2-enylcyclohexyl]prop-1-ynoxy-tri(propan-2-yl)silane?
The InChIKey is OLXCLWBLGYEFRZ-ZLNRFVROSA-N. The full InChI is InChI=1S/C23H42OSi/c1-10-13-22-15-11-14-21(8)23(22,9)16-12-17-24-25(18(2)3,19(4)5)20(6)7/h10,18-22H,1,11,13-16H2,2-9H3/t21-,22-,23+/m1/s1.
What are the key properties of 3-[(1S,2R,6S)-1,2-dimethyl-6-prop-2-enylcyclohexyl]prop-1-ynoxy-tri(propan-2-yl)silane?
3-[(1S,2R,6S)-1,2-dimethyl-6-prop-2-enylcyclohexyl]prop-1-ynoxy-tri(propan-2-yl)silane has a molecular weight of 362.67 g/mol, XLogP of 7.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2R,6S)-1,2-dimethyl-6-prop-2-enylcyclohexyl]prop-1-ynoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11233807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).