(3R,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-one

C14H22O2 — CID 10036509

IUPAC(3R,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-one
SMILESC=C(C)[C@@H]1CC[C@@]2(C1)C(=O)C[C@@H](O)C[C@H]2C
InChIInChI=1S/C14H22O2/c1-9(2)11-4-5-14(8-11)10(3)6-12(15)7-13(14)16/h10-12,15H,1,4-8H2,2-3H3/t10-,11-,12+,14+/m1/s1
InChIKeyQTEDQRZZLSNTKM-NMKXLXIOSA-N
MW222.33 g/mol
LogP2.71
Rot. Bonds1

About (3R,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-one

(3R,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-one (PubChem CID 10036509) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (3R,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-one.

Molecular Properties

Compound Name(3R,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-one
PubChem CID10036509
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(3R,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-one
SMILESC=C(C)[C@@H]1CC[C@@]2(C1)C(=O)C[C@@H](O)C[C@H]2C
InChIInChI=1S/C14H22O2/c1-9(2)11-4-5-14(8-11)10(3)6-12(15)7-13(14)16/h10-12,15H,1,4-8H2,2-3H3/t10-,11-,12+,14+/m1/s1
InChIKeyQTEDQRZZLSNTKM-NMKXLXIOSA-N
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3R,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-one?
The IUPAC name of (3R,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-one (CID 10036509) is (3R,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-one.
What is the SMILES notation for (3R,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-one?
The canonical SMILES for (3R,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-one is C=C(C)[C@@H]1CC[C@@]2(C1)C(=O)C[C@@H](O)C[C@H]2C.
What is the InChIKey of (3R,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-one?
The InChIKey is QTEDQRZZLSNTKM-NMKXLXIOSA-N. The full InChI is InChI=1S/C14H22O2/c1-9(2)11-4-5-14(8-11)10(3)6-12(15)7-13(14)16/h10-12,15H,1,4-8H2,2-3H3/t10-,11-,12+,14+/m1/s1.
What are the key properties of (3R,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-one?
(3R,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-one has a molecular weight of 222.33 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-one is sourced from PubChem (CID 10036509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).