(4S,5S,7R)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol

C15H26O — CID 11053257

IUPAC(4S,5S,7R)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol
SMILESC=C1CC[C@@H](C(C)C)C[C@@]12CCC[C@]2(C)O
InChIInChI=1S/C15H26O/c1-11(2)13-7-6-12(3)15(10-13)9-5-8-14(15,4)16/h11,13,16H,3,5-10H2,1-2,4H3/t13-,14+,15+/m1/s1
InChIKeyAEUBOEQPIBOTGP-ILXRZTDVSA-N
MW222.37 g/mol
LogP3.92
Rot. Bonds1

About (4S,5S,7R)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol

(4S,5S,7R)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol (PubChem CID 11053257) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (4S,5S,7R)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name(4S,5S,7R)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol
PubChem CID11053257
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(4S,5S,7R)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol
SMILESC=C1CC[C@@H](C(C)C)C[C@@]12CCC[C@]2(C)O
InChIInChI=1S/C15H26O/c1-11(2)13-7-6-12(3)15(10-13)9-5-8-14(15,4)16/h11,13,16H,3,5-10H2,1-2,4H3/t13-,14+,15+/m1/s1
InChIKeyAEUBOEQPIBOTGP-ILXRZTDVSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
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 (4S,5S,7R)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol?
The IUPAC name of (4S,5S,7R)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol (CID 11053257) is (4S,5S,7R)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol.
What is the SMILES notation for (4S,5S,7R)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol?
The canonical SMILES for (4S,5S,7R)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol is C=C1CC[C@@H](C(C)C)C[C@@]12CCC[C@]2(C)O.
What is the InChIKey of (4S,5S,7R)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol?
The InChIKey is AEUBOEQPIBOTGP-ILXRZTDVSA-N. The full InChI is InChI=1S/C15H26O/c1-11(2)13-7-6-12(3)15(10-13)9-5-8-14(15,4)16/h11,13,16H,3,5-10H2,1-2,4H3/t13-,14+,15+/m1/s1.
What are the key properties of (4S,5S,7R)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol?
(4S,5S,7R)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol has a molecular weight of 222.37 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,7R)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol is sourced from PubChem (CID 11053257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).