(3Z,3aR,4R,6aR,9aR,9bR)-9-methyl-6-methylidene-3-(trimethylsilylmethylidene)-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-ol

C18H28O2Si — CID 134959692

IUPAC(3Z,3aR,4R,6aR,9aR,9bR)-9-methyl-6-methylidene-3-(trimethylsilylmethylidene)-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-ol
SMILESC=C1C[C@@H](O)[C@H]2/C(=C/[Si](C)(C)C)CO[C@@H]2[C@H]2C(C)=CC[C@@H]12
InChIInChI=1S/C18H28O2Si/c1-11-6-7-14-12(2)8-15(19)17-13(10-21(3,4)5)9-20-18(17)16(11)14/h6,10,14-19H,2,7-9H2,1,3-5H3/b13-10+/t14-,15+,16-,17+,18+/m0/s1
InChIKeyKHDOSYYSFHDNKD-GWIJADOHSA-N
MW304.51 g/mol
LogP3.71
Rot. Bonds1

About (3Z,3aR,4R,6aR,9aR,9bR)-9-methyl-6-methylidene-3-(trimethylsilylmethylidene)-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-ol

(3Z,3aR,4R,6aR,9aR,9bR)-9-methyl-6-methylidene-3-(trimethylsilylmethylidene)-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-ol (PubChem CID 134959692) has the molecular formula C18H28O2Si and a molecular weight of 304.51 g/mol. Its IUPAC name is (3Z,3aR,4R,6aR,9aR,9bR)-9-methyl-6-methylidene-3-(trimethylsilylmethylidene)-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-ol.

Molecular Properties

Compound Name(3Z,3aR,4R,6aR,9aR,9bR)-9-methyl-6-methylidene-3-(trimethylsilylmethylidene)-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-ol
PubChem CID134959692
Molecular FormulaC18H28O2Si
Molecular Weight304.51 g/mol
Exact Mass304.19
IUPAC Name(3Z,3aR,4R,6aR,9aR,9bR)-9-methyl-6-methylidene-3-(trimethylsilylmethylidene)-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-ol
SMILESC=C1C[C@@H](O)[C@H]2/C(=C/[Si](C)(C)C)CO[C@@H]2[C@H]2C(C)=CC[C@@H]12
InChIInChI=1S/C18H28O2Si/c1-11-6-7-14-12(2)8-15(19)17-13(10-21(3,4)5)9-20-18(17)16(11)14/h6,10,14-19H,2,7-9H2,1,3-5H3/b13-10+/t14-,15+,16-,17+,18+/m0/s1
InChIKeyKHDOSYYSFHDNKD-GWIJADOHSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.51
LogP ≤ 53.71
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (3Z,3aR,4R,6aR,9aR,9bR)-9-methyl-6-methylidene-3-(trimethylsilylmethylidene)-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-ol?
The IUPAC name of (3Z,3aR,4R,6aR,9aR,9bR)-9-methyl-6-methylidene-3-(trimethylsilylmethylidene)-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-ol (CID 134959692) is (3Z,3aR,4R,6aR,9aR,9bR)-9-methyl-6-methylidene-3-(trimethylsilylmethylidene)-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-ol.
What is the SMILES notation for (3Z,3aR,4R,6aR,9aR,9bR)-9-methyl-6-methylidene-3-(trimethylsilylmethylidene)-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-ol?
The canonical SMILES for (3Z,3aR,4R,6aR,9aR,9bR)-9-methyl-6-methylidene-3-(trimethylsilylmethylidene)-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-ol is C=C1C[C@@H](O)[C@H]2/C(=C/[Si](C)(C)C)CO[C@@H]2[C@H]2C(C)=CC[C@@H]12.
What is the InChIKey of (3Z,3aR,4R,6aR,9aR,9bR)-9-methyl-6-methylidene-3-(trimethylsilylmethylidene)-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-ol?
The InChIKey is KHDOSYYSFHDNKD-GWIJADOHSA-N. The full InChI is InChI=1S/C18H28O2Si/c1-11-6-7-14-12(2)8-15(19)17-13(10-21(3,4)5)9-20-18(17)16(11)14/h6,10,14-19H,2,7-9H2,1,3-5H3/b13-10+/t14-,15+,16-,17+,18+/m0/s1.
What are the key properties of (3Z,3aR,4R,6aR,9aR,9bR)-9-methyl-6-methylidene-3-(trimethylsilylmethylidene)-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-ol?
(3Z,3aR,4R,6aR,9aR,9bR)-9-methyl-6-methylidene-3-(trimethylsilylmethylidene)-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-ol has a molecular weight of 304.51 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,3aR,4R,6aR,9aR,9bR)-9-methyl-6-methylidene-3-(trimethylsilylmethylidene)-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-ol is sourced from PubChem (CID 134959692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).