(5S,6R)-5-hydroxy-1,1,5,9-tetramethyl-10-methylidenespiro[5.5]undec-8-en-4-one

C16H24O2 — CID 170989830

IUPAC(5S,6R)-5-hydroxy-1,1,5,9-tetramethyl-10-methylidenespiro[5.5]undec-8-en-4-one
SMILESC=C1C[C@]2(CC=C1C)C(C)(C)CCC(=O)[C@@]2(C)O
InChIInChI=1S/C16H24O2/c1-11-6-9-16(10-12(11)2)14(3,4)8-7-13(17)15(16,5)18/h6,18H,2,7-10H2,1,3-5H3/t15-,16-/m1/s1
InChIKeyBJCSPPFUWFXRKL-HZPDHXFCSA-N
MW248.37 g/mol
LogP3.41
Rot. Bonds

About (5S,6R)-5-hydroxy-1,1,5,9-tetramethyl-10-methylidenespiro[5.5]undec-8-en-4-one

(5S,6R)-5-hydroxy-1,1,5,9-tetramethyl-10-methylidenespiro[5.5]undec-8-en-4-one (PubChem CID 170989830) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (5S,6R)-5-hydroxy-1,1,5,9-tetramethyl-10-methylidenespiro[5.5]undec-8-en-4-one.

Molecular Properties

Compound Name(5S,6R)-5-hydroxy-1,1,5,9-tetramethyl-10-methylidenespiro[5.5]undec-8-en-4-one
PubChem CID170989830
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(5S,6R)-5-hydroxy-1,1,5,9-tetramethyl-10-methylidenespiro[5.5]undec-8-en-4-one
SMILESC=C1C[C@]2(CC=C1C)C(C)(C)CCC(=O)[C@@]2(C)O
InChIInChI=1S/C16H24O2/c1-11-6-9-16(10-12(11)2)14(3,4)8-7-13(17)15(16,5)18/h6,18H,2,7-10H2,1,3-5H3/t15-,16-/m1/s1
InChIKeyBJCSPPFUWFXRKL-HZPDHXFCSA-N
XLogP3.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5S,6R)-5-hydroxy-1,1,5,9-tetramethyl-10-methylidenespiro[5.5]undec-8-en-4-one with MolForge

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Related Compounds

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(2S,3S,5R,6R)-2-hydroxy-2,5-dimethyl-3-(3-methylbut-2-enyl)-5-(4-methylpent-3-enyl)-6-(2-methylpropanoyl)cyclohexan-1-one
CID 132594785
(2S,3S,5R,6R)-2-hydroxy-2,5-dimethyl-6-[(2S)-2-methylbutanoyl]-3-(3-methylbut-2-enyl)-5-(4-methylpent-3-enyl)cyclohexan-1-one
CID 134149961
(4aS,5R,6R,8aR)-6-hydroxy-1,1,4a,6-tetramethyl-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4,5,7,8,8a-hexahydronaphthalen-2-one
CID 15127781
(3S,4R,4aS,8aS)-3-hydroxy-3,4a,8,8-tetramethyl-4-[(2Z)-3-methylpenta-2,4-dienyl]-1,4,5,6,7,8a-hexahydronaphthalen-2-one
CID 168273195
(1S,3R,4R,7R)-3-hydroxy-3-methyl-7-(6-methylhepta-1,5-dien-2-yl)-6-propan-2-ylbicyclo[2.2.2]oct-5-en-2-one
CID 10685799
3-Hydroxy-3-methyl-7-(6-methylhepta-1,5-dien-2-yl)-6-propan-2-ylbicyclo[2.2.2]oct-5-en-2-one
CID 15347151
Acaciicolinol A
CID 139590760
(1S,3S,4R,7R)-3-hydroxy-3-methyl-7-(6-methylhepta-1,5-dien-2-yl)-6-propan-2-ylbicyclo[2.2.2]oct-5-en-2-one
CID 162857079
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CID 162857080
(4aS,5R,6R,8aS)-6-hydroxy-1,1,4a,6-tetramethyl-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4,5,7,8,8a-hexahydronaphthalen-2-one
CID 162891948
1-Hydroxy-3-prop-1-en-2-ylbicyclo[3.3.1]non-2-en-9-one
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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5-hydroxy-1,1,5,9-tetramethyl-10-methylidenespiro[5.5]undec-8-en-4-one?
The IUPAC name of (5S,6R)-5-hydroxy-1,1,5,9-tetramethyl-10-methylidenespiro[5.5]undec-8-en-4-one (CID 170989830) is (5S,6R)-5-hydroxy-1,1,5,9-tetramethyl-10-methylidenespiro[5.5]undec-8-en-4-one.
What is the SMILES notation for (5S,6R)-5-hydroxy-1,1,5,9-tetramethyl-10-methylidenespiro[5.5]undec-8-en-4-one?
The canonical SMILES for (5S,6R)-5-hydroxy-1,1,5,9-tetramethyl-10-methylidenespiro[5.5]undec-8-en-4-one is C=C1C[C@]2(CC=C1C)C(C)(C)CCC(=O)[C@@]2(C)O.
What is the InChIKey of (5S,6R)-5-hydroxy-1,1,5,9-tetramethyl-10-methylidenespiro[5.5]undec-8-en-4-one?
The InChIKey is BJCSPPFUWFXRKL-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H24O2/c1-11-6-9-16(10-12(11)2)14(3,4)8-7-13(17)15(16,5)18/h6,18H,2,7-10H2,1,3-5H3/t15-,16-/m1/s1.
What are the key properties of (5S,6R)-5-hydroxy-1,1,5,9-tetramethyl-10-methylidenespiro[5.5]undec-8-en-4-one?
(5S,6R)-5-hydroxy-1,1,5,9-tetramethyl-10-methylidenespiro[5.5]undec-8-en-4-one has a molecular weight of 248.37 g/mol, XLogP of 3.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5-hydroxy-1,1,5,9-tetramethyl-10-methylidenespiro[5.5]undec-8-en-4-one is sourced from PubChem (CID 170989830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).