(4R,5S,7R)-4-methyl-10-methylidene-7-prop-1-en-2-ylspiro[4.5]decane

C15H24 — CID 15491228

IUPAC(4R,5S,7R)-4-methyl-10-methylidene-7-prop-1-en-2-ylspiro[4.5]decane
SMILESC=C(C)[C@@H]1CCC(=C)[C@@]2(CCC[C@H]2C)C1
InChIInChI=1S/C15H24/c1-11(2)14-8-7-13(4)15(10-14)9-5-6-12(15)3/h12,14H,1,4-10H2,2-3H3/t12-,14-,15+/m1/s1
InChIKeyJKIOJKSBQRHQIE-YUELXQCFSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds1

About (4R,5S,7R)-4-methyl-10-methylidene-7-prop-1-en-2-ylspiro[4.5]decane

(4R,5S,7R)-4-methyl-10-methylidene-7-prop-1-en-2-ylspiro[4.5]decane (PubChem CID 15491228) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (4R,5S,7R)-4-methyl-10-methylidene-7-prop-1-en-2-ylspiro[4.5]decane.

Molecular Properties

Compound Name(4R,5S,7R)-4-methyl-10-methylidene-7-prop-1-en-2-ylspiro[4.5]decane
PubChem CID15491228
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(4R,5S,7R)-4-methyl-10-methylidene-7-prop-1-en-2-ylspiro[4.5]decane
SMILESC=C(C)[C@@H]1CCC(=C)[C@@]2(CCC[C@H]2C)C1
InChIInChI=1S/C15H24/c1-11(2)14-8-7-13(4)15(10-14)9-5-6-12(15)3/h12,14H,1,4-10H2,2-3H3/t12-,14-,15+/m1/s1
InChIKeyJKIOJKSBQRHQIE-YUELXQCFSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (4R,5S,7R)-4-methyl-10-methylidene-7-prop-1-en-2-ylspiro[4.5]decane?
The IUPAC name of (4R,5S,7R)-4-methyl-10-methylidene-7-prop-1-en-2-ylspiro[4.5]decane (CID 15491228) is (4R,5S,7R)-4-methyl-10-methylidene-7-prop-1-en-2-ylspiro[4.5]decane.
What is the SMILES notation for (4R,5S,7R)-4-methyl-10-methylidene-7-prop-1-en-2-ylspiro[4.5]decane?
The canonical SMILES for (4R,5S,7R)-4-methyl-10-methylidene-7-prop-1-en-2-ylspiro[4.5]decane is C=C(C)[C@@H]1CCC(=C)[C@@]2(CCC[C@H]2C)C1.
What is the InChIKey of (4R,5S,7R)-4-methyl-10-methylidene-7-prop-1-en-2-ylspiro[4.5]decane?
The InChIKey is JKIOJKSBQRHQIE-YUELXQCFSA-N. The full InChI is InChI=1S/C15H24/c1-11(2)14-8-7-13(4)15(10-14)9-5-6-12(15)3/h12,14H,1,4-10H2,2-3H3/t12-,14-,15+/m1/s1.
What are the key properties of (4R,5S,7R)-4-methyl-10-methylidene-7-prop-1-en-2-ylspiro[4.5]decane?
(4R,5S,7R)-4-methyl-10-methylidene-7-prop-1-en-2-ylspiro[4.5]decane has a molecular weight of 204.36 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,7R)-4-methyl-10-methylidene-7-prop-1-en-2-ylspiro[4.5]decane is sourced from PubChem (CID 15491228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).