(4S,5R)-5-[(1S)-2-methylidenecyclopentyl]-4-[(1S)-4-methyl-1-triethylsilyloxypent-4-enyl]oxolan-2-one

C22H38O3Si — CID 101383774

IUPAC(4S,5R)-5-[(1S)-2-methylidenecyclopentyl]-4-[(1S)-4-methyl-1-triethylsilyloxypent-4-enyl]oxolan-2-one
SMILESC=C(C)CC[C@H](O[Si](CC)(CC)CC)[C@H]1CC(=O)O[C@@H]1[C@H]1CCCC1=C
InChIInChI=1S/C22H38O3Si/c1-7-26(8-2,9-3)25-20(14-13-16(4)5)19-15-21(23)24-22(19)18-12-10-11-17(18)6/h18-20,22H,4,6-15H2,1-3,5H3/t18-,19+,20-,22+/m0/s1
InChIKeyNEHSZCMRXQBRMP-CUXKYVRBSA-N
MW378.63 g/mol
LogP6.02
Rot. Bonds10

About (4S,5R)-5-[(1S)-2-methylidenecyclopentyl]-4-[(1S)-4-methyl-1-triethylsilyloxypent-4-enyl]oxolan-2-one

(4S,5R)-5-[(1S)-2-methylidenecyclopentyl]-4-[(1S)-4-methyl-1-triethylsilyloxypent-4-enyl]oxolan-2-one (PubChem CID 101383774) has the molecular formula C22H38O3Si and a molecular weight of 378.63 g/mol. Its IUPAC name is (4S,5R)-5-[(1S)-2-methylidenecyclopentyl]-4-[(1S)-4-methyl-1-triethylsilyloxypent-4-enyl]oxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[(1S)-2-methylidenecyclopentyl]-4-[(1S)-4-methyl-1-triethylsilyloxypent-4-enyl]oxolan-2-one
PubChem CID101383774
Molecular FormulaC22H38O3Si
Molecular Weight378.63 g/mol
Exact Mass378.26
IUPAC Name(4S,5R)-5-[(1S)-2-methylidenecyclopentyl]-4-[(1S)-4-methyl-1-triethylsilyloxypent-4-enyl]oxolan-2-one
SMILESC=C(C)CC[C@H](O[Si](CC)(CC)CC)[C@H]1CC(=O)O[C@@H]1[C@H]1CCCC1=C
InChIInChI=1S/C22H38O3Si/c1-7-26(8-2,9-3)25-20(14-13-16(4)5)19-15-21(23)24-22(19)18-12-10-11-17(18)6/h18-20,22H,4,6-15H2,1-3,5H3/t18-,19+,20-,22+/m0/s1
InChIKeyNEHSZCMRXQBRMP-CUXKYVRBSA-N
XLogP6.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.63
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(1S,6S,9R,13R,14R,15R,17R,19S)-15-[tert-butyl(dimethyl)silyl]oxy-14-hydroxy-6,13,19-trimethyl-11-methylidene-9-propyl-8,20-dioxabicyclo[15.2.1]icosan-7-one
CID 53328657
(1S,6S,9R,13R,14R,15R,17R,19S)-14-[tert-butyl(dimethyl)silyl]oxy-15-hydroxy-6,13,19-trimethyl-11-methylidene-9-propyl-8,20-dioxabicyclo[15.2.1]icosan-7-one
CID 53328658
(1S,6S,9R,13R,14S,15S,17R,19S)-14-[tert-butyl(dimethyl)silyl]oxy-6,13,19-trimethyl-11-methylidene-9-propyl-15-triethylsilyloxy-8,20-dioxabicyclo[15.2.1]icosan-7-one
CID 56954377
(1S,6S,9R,13R,14S,15S,17R,19S)-6,13,19-trimethyl-11-methylidene-9-propyl-14,15-bis(triethylsilyloxy)-8,20-dioxabicyclo[15.2.1]icosan-7-one
CID 135021871
(1S,6S,9R,13R,14S,15S,17R,19S)-15-[tert-butyl(dimethyl)silyl]oxy-6,13,19-trimethyl-11-methylidene-9-propyl-14-triethylsilyloxy-8,20-dioxabicyclo[15.2.1]icosan-7-one
CID 135021872
(1S,6S,9R,13R,14S,17R,19S)-14-[tert-butyl(dimethyl)silyl]oxy-6,13,19-trimethyl-11-methylidene-9-propyl-8,20-dioxabicyclo[15.2.1]icosane-7,15-dione
CID 135070796
(4R,5R)-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one
CID 10592269
(3S,4R,5R)-3-methyl-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one
CID 10759622
(1S,6S,9R,13R,14Z,17R,19S)-14-[diethoxy(methyl)silyl]-6,13,19-trimethyl-11-methylidene-9-propyl-8,20-dioxabicyclo[15.2.1]icos-14-en-7-one
CID 72700970
(1S,6S,9R,13R,14Z,17R,19S)-15-[diethoxy(methyl)silyl]-6,13,19-trimethyl-11-methylidene-9-propyl-8,20-dioxabicyclo[15.2.1]icos-14-en-7-one
CID 72700971
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-(5-butyl-3-methylideneoxolan-2-yl)-3-methylheptan-2-one
CID 58990987
5-(2-Methylidenecyclopentyl)-4-(3-methyl-1-trimethylsilyloxybut-3-enyl)oxolan-2-one
CID 72961771

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[(1S)-2-methylidenecyclopentyl]-4-[(1S)-4-methyl-1-triethylsilyloxypent-4-enyl]oxolan-2-one?
The IUPAC name of (4S,5R)-5-[(1S)-2-methylidenecyclopentyl]-4-[(1S)-4-methyl-1-triethylsilyloxypent-4-enyl]oxolan-2-one (CID 101383774) is (4S,5R)-5-[(1S)-2-methylidenecyclopentyl]-4-[(1S)-4-methyl-1-triethylsilyloxypent-4-enyl]oxolan-2-one.
What is the SMILES notation for (4S,5R)-5-[(1S)-2-methylidenecyclopentyl]-4-[(1S)-4-methyl-1-triethylsilyloxypent-4-enyl]oxolan-2-one?
The canonical SMILES for (4S,5R)-5-[(1S)-2-methylidenecyclopentyl]-4-[(1S)-4-methyl-1-triethylsilyloxypent-4-enyl]oxolan-2-one is C=C(C)CC[C@H](O[Si](CC)(CC)CC)[C@H]1CC(=O)O[C@@H]1[C@H]1CCCC1=C.
What is the InChIKey of (4S,5R)-5-[(1S)-2-methylidenecyclopentyl]-4-[(1S)-4-methyl-1-triethylsilyloxypent-4-enyl]oxolan-2-one?
The InChIKey is NEHSZCMRXQBRMP-CUXKYVRBSA-N. The full InChI is InChI=1S/C22H38O3Si/c1-7-26(8-2,9-3)25-20(14-13-16(4)5)19-15-21(23)24-22(19)18-12-10-11-17(18)6/h18-20,22H,4,6-15H2,1-3,5H3/t18-,19+,20-,22+/m0/s1.
What are the key properties of (4S,5R)-5-[(1S)-2-methylidenecyclopentyl]-4-[(1S)-4-methyl-1-triethylsilyloxypent-4-enyl]oxolan-2-one?
(4S,5R)-5-[(1S)-2-methylidenecyclopentyl]-4-[(1S)-4-methyl-1-triethylsilyloxypent-4-enyl]oxolan-2-one has a molecular weight of 378.63 g/mol, XLogP of 6.02, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[(1S)-2-methylidenecyclopentyl]-4-[(1S)-4-methyl-1-triethylsilyloxypent-4-enyl]oxolan-2-one is sourced from PubChem (CID 101383774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).