(6S)-8-methoxy-6-methyl-10-methylidene-3-propan-2-ylidenespiro[4.5]dec-8-ene

C16H24O — CID 91747501

IUPAC(6S)-8-methoxy-6-methyl-10-methylidene-3-propan-2-ylidenespiro[4.5]dec-8-ene
SMILESC=C1C=C(OC)C[C@H](C)C12CCC(=C(C)C)C2
InChIInChI=1S/C16H24O/c1-11(2)14-6-7-16(10-14)12(3)8-15(17-5)9-13(16)4/h8,13H,3,6-7,9-10H2,1-2,4-5H3/t13-,16?/m0/s1
InChIKeyMTLRUXVTDPIWGX-KNVGNIICSA-N
MW232.37 g/mol
LogP4.62
Rot. Bonds1

About (6S)-8-methoxy-6-methyl-10-methylidene-3-propan-2-ylidenespiro[4.5]dec-8-ene

(6S)-8-methoxy-6-methyl-10-methylidene-3-propan-2-ylidenespiro[4.5]dec-8-ene (PubChem CID 91747501) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (6S)-8-methoxy-6-methyl-10-methylidene-3-propan-2-ylidenespiro[4.5]dec-8-ene.

Molecular Properties

Compound Name(6S)-8-methoxy-6-methyl-10-methylidene-3-propan-2-ylidenespiro[4.5]dec-8-ene
PubChem CID91747501
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(6S)-8-methoxy-6-methyl-10-methylidene-3-propan-2-ylidenespiro[4.5]dec-8-ene
SMILESC=C1C=C(OC)C[C@H](C)C12CCC(=C(C)C)C2
InChIInChI=1S/C16H24O/c1-11(2)14-6-7-16(10-14)12(3)8-15(17-5)9-13(16)4/h8,13H,3,6-7,9-10H2,1-2,4-5H3/t13-,16?/m0/s1
InChIKeyMTLRUXVTDPIWGX-KNVGNIICSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-8-methoxy-6-methyl-10-methylidene-3-propan-2-ylidenespiro[4.5]dec-8-ene?
The IUPAC name of (6S)-8-methoxy-6-methyl-10-methylidene-3-propan-2-ylidenespiro[4.5]dec-8-ene (CID 91747501) is (6S)-8-methoxy-6-methyl-10-methylidene-3-propan-2-ylidenespiro[4.5]dec-8-ene.
What is the SMILES notation for (6S)-8-methoxy-6-methyl-10-methylidene-3-propan-2-ylidenespiro[4.5]dec-8-ene?
The canonical SMILES for (6S)-8-methoxy-6-methyl-10-methylidene-3-propan-2-ylidenespiro[4.5]dec-8-ene is C=C1C=C(OC)C[C@H](C)C12CCC(=C(C)C)C2.
What is the InChIKey of (6S)-8-methoxy-6-methyl-10-methylidene-3-propan-2-ylidenespiro[4.5]dec-8-ene?
The InChIKey is MTLRUXVTDPIWGX-KNVGNIICSA-N. The full InChI is InChI=1S/C16H24O/c1-11(2)14-6-7-16(10-14)12(3)8-15(17-5)9-13(16)4/h8,13H,3,6-7,9-10H2,1-2,4-5H3/t13-,16?/m0/s1.
What are the key properties of (6S)-8-methoxy-6-methyl-10-methylidene-3-propan-2-ylidenespiro[4.5]dec-8-ene?
(6S)-8-methoxy-6-methyl-10-methylidene-3-propan-2-ylidenespiro[4.5]dec-8-ene has a molecular weight of 232.37 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-methoxy-6-methyl-10-methylidene-3-propan-2-ylidenespiro[4.5]dec-8-ene is sourced from PubChem (CID 91747501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).