(E,3S,5R)-1-cyclopropyl-5-methyl-7-trimethylsilylhept-1-en-6-yne-3,5-diol

C14H24O2Si — CID 50901420

IUPAC(E,3S,5R)-1-cyclopropyl-5-methyl-7-trimethylsilylhept-1-en-6-yne-3,5-diol
SMILESC[C@](O)(C#C[Si](C)(C)C)C[C@H](O)/C=C/C1CC1
InChIInChI=1S/C14H24O2Si/c1-14(16,9-10-17(2,3)4)11-13(15)8-7-12-5-6-12/h7-8,12-13,15-16H,5-6,11H2,1-4H3/b8-7+/t13-,14+/m1/s1
InChIKeyRBBZMFGMFGDESW-NCRJZKAISA-N
MW252.43 g/mol
LogP2.34
Rot. Bonds4

About (E,3S,5R)-1-cyclopropyl-5-methyl-7-trimethylsilylhept-1-en-6-yne-3,5-diol

(E,3S,5R)-1-cyclopropyl-5-methyl-7-trimethylsilylhept-1-en-6-yne-3,5-diol (PubChem CID 50901420) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is (E,3S,5R)-1-cyclopropyl-5-methyl-7-trimethylsilylhept-1-en-6-yne-3,5-diol.

Molecular Properties

Compound Name(E,3S,5R)-1-cyclopropyl-5-methyl-7-trimethylsilylhept-1-en-6-yne-3,5-diol
PubChem CID50901420
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Name(E,3S,5R)-1-cyclopropyl-5-methyl-7-trimethylsilylhept-1-en-6-yne-3,5-diol
SMILESC[C@](O)(C#C[Si](C)(C)C)C[C@H](O)/C=C/C1CC1
InChIInChI=1S/C14H24O2Si/c1-14(16,9-10-17(2,3)4)11-13(15)8-7-12-5-6-12/h7-8,12-13,15-16H,5-6,11H2,1-4H3/b8-7+/t13-,14+/m1/s1
InChIKeyRBBZMFGMFGDESW-NCRJZKAISA-N
XLogP2.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

(1R,3S)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol
CID 11367813
(E)-3-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopropyl]prop-2-en-1-ol
CID 13925594
(1R,4R)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol
CID 17755069
(1R,3R)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol
CID 102380786
(E,3R,4S)-3-methyl-1-trimethylsilyldec-5-en-1-yn-4-ol
CID 11637286
4-Cyclopentene-1,3-diol, 1-[3-(trimethylsilyl)-2-propynyl]-
CID 45093169
(E,3S,4R)-3-methyl-1-trimethylsilyldec-5-en-1-yn-4-ol
CID 101162768
(E,3R,5S)-1-cyclopropyl-5-methyl-7-trimethylsilylhept-1-en-6-yne-3,5-diol
CID 101268554
(E)-1-[1-(2-hydroxyethyl)cyclopropyl]-7-trimethylsilylhept-1-en-6-yn-3-ol
CID 101268557
(Z)-4-[2-[tert-butyl(dimethyl)silyl]ethynyl]-5-deuterio-8-methoxy-2-methyloct-4-en-3-ol
CID 101269829
(1S,4S)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol
CID 130831903

Frequently Asked Questions

What is the IUPAC name of (E,3S,5R)-1-cyclopropyl-5-methyl-7-trimethylsilylhept-1-en-6-yne-3,5-diol?
The IUPAC name of (E,3S,5R)-1-cyclopropyl-5-methyl-7-trimethylsilylhept-1-en-6-yne-3,5-diol (CID 50901420) is (E,3S,5R)-1-cyclopropyl-5-methyl-7-trimethylsilylhept-1-en-6-yne-3,5-diol.
What is the SMILES notation for (E,3S,5R)-1-cyclopropyl-5-methyl-7-trimethylsilylhept-1-en-6-yne-3,5-diol?
The canonical SMILES for (E,3S,5R)-1-cyclopropyl-5-methyl-7-trimethylsilylhept-1-en-6-yne-3,5-diol is C[C@](O)(C#C[Si](C)(C)C)C[C@H](O)/C=C/C1CC1.
What is the InChIKey of (E,3S,5R)-1-cyclopropyl-5-methyl-7-trimethylsilylhept-1-en-6-yne-3,5-diol?
The InChIKey is RBBZMFGMFGDESW-NCRJZKAISA-N. The full InChI is InChI=1S/C14H24O2Si/c1-14(16,9-10-17(2,3)4)11-13(15)8-7-12-5-6-12/h7-8,12-13,15-16H,5-6,11H2,1-4H3/b8-7+/t13-,14+/m1/s1.
What are the key properties of (E,3S,5R)-1-cyclopropyl-5-methyl-7-trimethylsilylhept-1-en-6-yne-3,5-diol?
(E,3S,5R)-1-cyclopropyl-5-methyl-7-trimethylsilylhept-1-en-6-yne-3,5-diol has a molecular weight of 252.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,5R)-1-cyclopropyl-5-methyl-7-trimethylsilylhept-1-en-6-yne-3,5-diol is sourced from PubChem (CID 50901420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).