(1S,3R,4S,5S)-3-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one

C15H24O2 — CID 10633587

IUPAC(1S,3R,4S,5S)-3-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one
SMILESCC1=CC[C@@]2(CC1=O)[C@H](C(C)C)[C@H](O)C[C@@H]2C
InChIInChI=1S/C15H24O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h5,9,11-12,14,16H,6-8H2,1-4H3/t11-,12+,14+,15-/m0/s1
InChIKeyADNFCKCPNFGLCH-MXYBEHONSA-N
MW236.35 g/mol
LogP2.95
Rot. Bonds1

About (1S,3R,4S,5S)-3-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one

(1S,3R,4S,5S)-3-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one (PubChem CID 10633587) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1S,3R,4S,5S)-3-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one.

Molecular Properties

Compound Name(1S,3R,4S,5S)-3-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one
PubChem CID10633587
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1S,3R,4S,5S)-3-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one
SMILESCC1=CC[C@@]2(CC1=O)[C@H](C(C)C)[C@H](O)C[C@@H]2C
InChIInChI=1S/C15H24O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h5,9,11-12,14,16H,6-8H2,1-4H3/t11-,12+,14+,15-/m0/s1
InChIKeyADNFCKCPNFGLCH-MXYBEHONSA-N
XLogP2.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,4S,5S)-3-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one?
The IUPAC name of (1S,3R,4S,5S)-3-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one (CID 10633587) is (1S,3R,4S,5S)-3-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one.
What is the SMILES notation for (1S,3R,4S,5S)-3-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one?
The canonical SMILES for (1S,3R,4S,5S)-3-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one is CC1=CC[C@@]2(CC1=O)[C@H](C(C)C)[C@H](O)C[C@@H]2C.
What is the InChIKey of (1S,3R,4S,5S)-3-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one?
The InChIKey is ADNFCKCPNFGLCH-MXYBEHONSA-N. The full InChI is InChI=1S/C15H24O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h5,9,11-12,14,16H,6-8H2,1-4H3/t11-,12+,14+,15-/m0/s1.
What are the key properties of (1S,3R,4S,5S)-3-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one?
(1S,3R,4S,5S)-3-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one has a molecular weight of 236.35 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4S,5S)-3-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one is sourced from PubChem (CID 10633587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).