(3aS,6aS)-6-[2-(trimethylsilylmethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C14H24O2Si — CID 10562801

IUPAC(3aS,6aS)-6-[2-(trimethylsilylmethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESC=C(CC1CC[C@H]2CC(=O)O[C@@H]12)C[Si](C)(C)C
InChIInChI=1S/C14H24O2Si/c1-10(9-17(2,3)4)7-11-5-6-12-8-13(15)16-14(11)12/h11-12,14H,1,5-9H2,2-4H3/t11?,12-,14-/m0/s1
InChIKeyYGFFYEHTPCNINJ-WGIUUAEBSA-N
MW252.43 g/mol
LogP3.61
Rot. Bonds4

About (3aS,6aS)-6-[2-(trimethylsilylmethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

(3aS,6aS)-6-[2-(trimethylsilylmethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 10562801) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is (3aS,6aS)-6-[2-(trimethylsilylmethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aS,6aS)-6-[2-(trimethylsilylmethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID10562801
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Name(3aS,6aS)-6-[2-(trimethylsilylmethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESC=C(CC1CC[C@H]2CC(=O)O[C@@H]12)C[Si](C)(C)C
InChIInChI=1S/C14H24O2Si/c1-10(9-17(2,3)4)7-11-5-6-12-8-13(15)16-14(11)12/h11-12,14H,1,5-9H2,2-4H3/t11?,12-,14-/m0/s1
InChIKeyYGFFYEHTPCNINJ-WGIUUAEBSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.61
H-Bond Donors ≤ 50
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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Related Compounds

(3aR,4R,6aS)-4-[(E)-2-trimethylsilylethenyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11299072
5-(2-Methylidenecyclopentyl)-4-(3-methyl-1-trimethylsilyloxybut-3-enyl)oxolan-2-one
CID 72961771
(4R,5S)-5-[(1R)-2-methylidenecyclopentyl]-4-[(1R)-3-methyl-1-trimethylsilyloxybut-3-enyl]oxolan-2-one
CID 11438672
(4S,5R)-5-[(1S)-2-methylidenecyclopentyl]-4-[(1S)-3-methyl-1-triethylsilyloxybut-3-enyl]oxolan-2-one
CID 11667718
6-[2-(Trimethylsilylmethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 85186645
(4S,5R)-5-[(1S)-2-methylidenecyclopentyl]-4-[(1S)-4-methyl-1-triethylsilyloxypent-4-enyl]oxolan-2-one
CID 101383774
(3aR,6R,6aR)-6-prop-2-enyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 102593775
(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 158287682

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-6-[2-(trimethylsilylmethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aS,6aS)-6-[2-(trimethylsilylmethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 10562801) is (3aS,6aS)-6-[2-(trimethylsilylmethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aS,6aS)-6-[2-(trimethylsilylmethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aS,6aS)-6-[2-(trimethylsilylmethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is C=C(CC1CC[C@H]2CC(=O)O[C@@H]12)C[Si](C)(C)C.
What is the InChIKey of (3aS,6aS)-6-[2-(trimethylsilylmethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is YGFFYEHTPCNINJ-WGIUUAEBSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-10(9-17(2,3)4)7-11-5-6-12-8-13(15)16-14(11)12/h11-12,14H,1,5-9H2,2-4H3/t11?,12-,14-/m0/s1.
What are the key properties of (3aS,6aS)-6-[2-(trimethylsilylmethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(3aS,6aS)-6-[2-(trimethylsilylmethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 252.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-6-[2-(trimethylsilylmethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 10562801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).