1-(2-hex-1-ynylcyclopenten-1-yl)-4-methyl-4-trimethylsilylpent-2-yn-1-ol

C20H32OSi — CID 11067068

IUPAC1-(2-hex-1-ynylcyclopenten-1-yl)-4-methyl-4-trimethylsilylpent-2-yn-1-ol
SMILESCCCCC#CC1=C(C(O)C#CC(C)(C)[Si](C)(C)C)CCC1
InChIInChI=1S/C20H32OSi/c1-7-8-9-10-12-17-13-11-14-18(17)19(21)15-16-20(2,3)22(4,5)6/h19,21H,7-9,11,13-14H2,1-6H3
InChIKeyZSUBXCMHDNXJBW-UHFFFAOYSA-N
MW316.56 g/mol
LogP5.14
Rot. Bonds4

About 1-(2-hex-1-ynylcyclopenten-1-yl)-4-methyl-4-trimethylsilylpent-2-yn-1-ol

1-(2-hex-1-ynylcyclopenten-1-yl)-4-methyl-4-trimethylsilylpent-2-yn-1-ol (PubChem CID 11067068) has the molecular formula C20H32OSi and a molecular weight of 316.56 g/mol. Its IUPAC name is 1-(2-hex-1-ynylcyclopenten-1-yl)-4-methyl-4-trimethylsilylpent-2-yn-1-ol.

Molecular Properties

Compound Name1-(2-hex-1-ynylcyclopenten-1-yl)-4-methyl-4-trimethylsilylpent-2-yn-1-ol
PubChem CID11067068
Molecular FormulaC20H32OSi
Molecular Weight316.56 g/mol
Exact Mass316.22
IUPAC Name1-(2-hex-1-ynylcyclopenten-1-yl)-4-methyl-4-trimethylsilylpent-2-yn-1-ol
SMILESCCCCC#CC1=C(C(O)C#CC(C)(C)[Si](C)(C)C)CCC1
InChIInChI=1S/C20H32OSi/c1-7-8-9-10-12-17-13-11-14-18(17)19(21)15-16-20(2,3)22(4,5)6/h19,21H,7-9,11,13-14H2,1-6H3
InChIKeyZSUBXCMHDNXJBW-UHFFFAOYSA-N
XLogP5.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.56
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol
CID 11459757
(1s,2r)-2-(t-Butyldimethylsilyl)-1-[2-(3-methyl-3-buten-1-ynyl)-1-cyclopentenyl]-4-(trimethylsilyl)-3-butyn-1-ol
CID 101997623
1-(2-Ethynylcyclopenten-1-yl)-4-trimethylsilylbut-2-yn-1-ol
CID 134884576
4-Butyl-1-(2-hex-1-ynylcyclopenten-1-yl)-4-trimethylsilyloct-2-yn-1-ol
CID 134884962
4-Methyl-1-(2-prop-1-ynylcyclopenten-1-yl)-4-trimethylsilylpent-2-yn-1-ol
CID 134897048
2-Methyl-3-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
CID 85807164
[(1Z)-7-methylidene-8-tri(propan-2-yl)silyloxycyclododec-1-en-5-yn-1-yl]methanol
CID 9999625
(Z)-7-(trimethylsilylmethyl)dodec-7-en-6-ol
CID 10423289
(6E,10E)-2,6,10-trimethyl-16-trimethylsilylhexadeca-1,6,10-trien-14-yn-3-ol
CID 10688961
(6E)-2,6-dimethyl-13-trimethylsilyltrideca-1,6-dien-11-yn-3-ol
CID 11044553
(1R,2S)-2-[tert-butyl(dimethyl)silyl]-1-[2-[2-(cyclohexen-1-yl)ethynyl]cyclopenten-1-yl]-4-trimethylsilylbut-3-yn-1-ol
CID 11101999
(1R)-1-[(5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-3-trimethylsilylprop-2-yn-1-ol
CID 11209552

Frequently Asked Questions

What is the IUPAC name of 1-(2-hex-1-ynylcyclopenten-1-yl)-4-methyl-4-trimethylsilylpent-2-yn-1-ol?
The IUPAC name of 1-(2-hex-1-ynylcyclopenten-1-yl)-4-methyl-4-trimethylsilylpent-2-yn-1-ol (CID 11067068) is 1-(2-hex-1-ynylcyclopenten-1-yl)-4-methyl-4-trimethylsilylpent-2-yn-1-ol.
What is the SMILES notation for 1-(2-hex-1-ynylcyclopenten-1-yl)-4-methyl-4-trimethylsilylpent-2-yn-1-ol?
The canonical SMILES for 1-(2-hex-1-ynylcyclopenten-1-yl)-4-methyl-4-trimethylsilylpent-2-yn-1-ol is CCCCC#CC1=C(C(O)C#CC(C)(C)[Si](C)(C)C)CCC1.
What is the InChIKey of 1-(2-hex-1-ynylcyclopenten-1-yl)-4-methyl-4-trimethylsilylpent-2-yn-1-ol?
The InChIKey is ZSUBXCMHDNXJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32OSi/c1-7-8-9-10-12-17-13-11-14-18(17)19(21)15-16-20(2,3)22(4,5)6/h19,21H,7-9,11,13-14H2,1-6H3.
What are the key properties of 1-(2-hex-1-ynylcyclopenten-1-yl)-4-methyl-4-trimethylsilylpent-2-yn-1-ol?
1-(2-hex-1-ynylcyclopenten-1-yl)-4-methyl-4-trimethylsilylpent-2-yn-1-ol has a molecular weight of 316.56 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hex-1-ynylcyclopenten-1-yl)-4-methyl-4-trimethylsilylpent-2-yn-1-ol is sourced from PubChem (CID 11067068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).