(1'S,2S,2'R,3'R,6'S,8'S,9'R,10'S)-6'-methyl-3'-propan-2-ylspiro[oxirane-2,7'-tricyclo[4.4.0.02,8]decane]-9',10'-diol

C15H24O3 — CID 10944915

IUPAC(1'S,2S,2'R,3'R,6'S,8'S,9'R,10'S)-6'-methyl-3'-propan-2-ylspiro[oxirane-2,7'-tricyclo[4.4.0.02,8]decane]-9',10'-diol
SMILESCC(C)[C@H]1CC[C@@]2(C)[C@H]3[C@H](O)[C@H](O)[C@H]([C@@H]31)[C@@]21CO1
InChIInChI=1S/C15H24O3/c1-7(2)8-4-5-14(3)10-9(8)11(13(17)12(10)16)15(14)6-18-15/h7-13,16-17H,4-6H2,1-3H3/t8-,9-,10-,11+,12+,13-,14+,15+/m1/s1
InChIKeyVHMNAPBFMHCKLZ-MZKUERFNSA-N
MW252.35 g/mol
LogP1.43
Rot. Bonds1

About (1'S,2S,2'R,3'R,6'S,8'S,9'R,10'S)-6'-methyl-3'-propan-2-ylspiro[oxirane-2,7'-tricyclo[4.4.0.02,8]decane]-9',10'-diol

(1'S,2S,2'R,3'R,6'S,8'S,9'R,10'S)-6'-methyl-3'-propan-2-ylspiro[oxirane-2,7'-tricyclo[4.4.0.02,8]decane]-9',10'-diol (PubChem CID 10944915) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (1'S,2S,2'R,3'R,6'S,8'S,9'R,10'S)-6'-methyl-3'-propan-2-ylspiro[oxirane-2,7'-tricyclo[4.4.0.02,8]decane]-9',10'-diol.

Molecular Properties

Compound Name(1'S,2S,2'R,3'R,6'S,8'S,9'R,10'S)-6'-methyl-3'-propan-2-ylspiro[oxirane-2,7'-tricyclo[4.4.0.02,8]decane]-9',10'-diol
PubChem CID10944915
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(1'S,2S,2'R,3'R,6'S,8'S,9'R,10'S)-6'-methyl-3'-propan-2-ylspiro[oxirane-2,7'-tricyclo[4.4.0.02,8]decane]-9',10'-diol
SMILESCC(C)[C@H]1CC[C@@]2(C)[C@H]3[C@H](O)[C@H](O)[C@H]([C@@H]31)[C@@]21CO1
InChIInChI=1S/C15H24O3/c1-7(2)8-4-5-14(3)10-9(8)11(13(17)12(10)16)15(14)6-18-15/h7-13,16-17H,4-6H2,1-3H3/t8-,9-,10-,11+,12+,13-,14+,15+/m1/s1
InChIKeyVHMNAPBFMHCKLZ-MZKUERFNSA-N
XLogP1.43
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1'S,2S,2'R,3'R,6'S,8'S,9'R,10'S)-6'-methyl-3'-propan-2-ylspiro[oxirane-2,7'-tricyclo[4.4.0.02,8]decane]-9',10'-diol with MolForge

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CID 21140311
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Frequently Asked Questions

What is the IUPAC name of (1'S,2S,2'R,3'R,6'S,8'S,9'R,10'S)-6'-methyl-3'-propan-2-ylspiro[oxirane-2,7'-tricyclo[4.4.0.02,8]decane]-9',10'-diol?
The IUPAC name of (1'S,2S,2'R,3'R,6'S,8'S,9'R,10'S)-6'-methyl-3'-propan-2-ylspiro[oxirane-2,7'-tricyclo[4.4.0.02,8]decane]-9',10'-diol (CID 10944915) is (1'S,2S,2'R,3'R,6'S,8'S,9'R,10'S)-6'-methyl-3'-propan-2-ylspiro[oxirane-2,7'-tricyclo[4.4.0.02,8]decane]-9',10'-diol.
What is the SMILES notation for (1'S,2S,2'R,3'R,6'S,8'S,9'R,10'S)-6'-methyl-3'-propan-2-ylspiro[oxirane-2,7'-tricyclo[4.4.0.02,8]decane]-9',10'-diol?
The canonical SMILES for (1'S,2S,2'R,3'R,6'S,8'S,9'R,10'S)-6'-methyl-3'-propan-2-ylspiro[oxirane-2,7'-tricyclo[4.4.0.02,8]decane]-9',10'-diol is CC(C)[C@H]1CC[C@@]2(C)[C@H]3[C@H](O)[C@H](O)[C@H]([C@@H]31)[C@@]21CO1.
What is the InChIKey of (1'S,2S,2'R,3'R,6'S,8'S,9'R,10'S)-6'-methyl-3'-propan-2-ylspiro[oxirane-2,7'-tricyclo[4.4.0.02,8]decane]-9',10'-diol?
The InChIKey is VHMNAPBFMHCKLZ-MZKUERFNSA-N. The full InChI is InChI=1S/C15H24O3/c1-7(2)8-4-5-14(3)10-9(8)11(13(17)12(10)16)15(14)6-18-15/h7-13,16-17H,4-6H2,1-3H3/t8-,9-,10-,11+,12+,13-,14+,15+/m1/s1.
What are the key properties of (1'S,2S,2'R,3'R,6'S,8'S,9'R,10'S)-6'-methyl-3'-propan-2-ylspiro[oxirane-2,7'-tricyclo[4.4.0.02,8]decane]-9',10'-diol?
(1'S,2S,2'R,3'R,6'S,8'S,9'R,10'S)-6'-methyl-3'-propan-2-ylspiro[oxirane-2,7'-tricyclo[4.4.0.02,8]decane]-9',10'-diol has a molecular weight of 252.35 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,2S,2'R,3'R,6'S,8'S,9'R,10'S)-6'-methyl-3'-propan-2-ylspiro[oxirane-2,7'-tricyclo[4.4.0.02,8]decane]-9',10'-diol is sourced from PubChem (CID 10944915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).