2-[(6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol

C15H26O — CID 5318052

IUPAC2-[(6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol
SMILESCC1=CCC[C@H](C)C12CCC(C(C)(C)O)C2
InChIInChI=1S/C15H26O/c1-11-6-5-7-12(2)15(11)9-8-13(10-15)14(3,4)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13?,15?/m0/s1
InChIKeyICWHTQRTTHCUHW-OPFPJEHXSA-N
MW222.37 g/mol
LogP3.92
Rot. Bonds1

About 2-[(6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol

2-[(6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol (PubChem CID 5318052) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-[(6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol
PubChem CID5318052
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-[(6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol
SMILESCC1=CCC[C@H](C)C12CCC(C(C)(C)O)C2
InChIInChI=1S/C15H26O/c1-11-6-5-7-12(2)15(11)9-8-13(10-15)14(3,4)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13?,15?/m0/s1
InChIKeyICWHTQRTTHCUHW-OPFPJEHXSA-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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Related Compounds

2-[(5R,6R)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol
CID 15558515
(3R,5R,6R)-3-(2-hydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one
CID 162885101
(3S,5S,6S)-3-(2-hydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one
CID 10823738
(2S,3R,4S,5R,6R)-2-[2-[(3S,5S,6R)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-yloxy]-6-methyloxane-3,4,5-triol
CID 162994350
(3R,5R)-3-(1,2-dihydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one
CID 91884809
2-[(2R,4aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol;methane
CID 157399414
1',5',6,6-tetramethylspiro[bicyclo[3.1.0]hexane-2,6'-cyclohexene]
CID 176698525
(3S,5R,6R,7R)-3-[(2R)-1,2-dihydroxypropan-2-yl]-7-hydroxy-6,10-dimethylspiro[4.5]dec-9-en-8-one
CID 124524991
1-(1,2,6-trimethylcyclohex-2-en-1-yl)ethanone
CID 70536981
2-(2,3-dimethylcyclohex-3-en-1-yl)propan-2-ol
CID 118643101
2-[(1S,3R,6S,7S,10S)-6,10-dimethyl-11-oxatricyclo[5.3.1.01,7]undecan-3-yl]propan-2-ol
CID 139086762
3-(1,2-dihydroxypropan-2-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-1,2-diol
CID 162968990

Frequently Asked Questions

What is the IUPAC name of 2-[(6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol?
The IUPAC name of 2-[(6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol (CID 5318052) is 2-[(6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol.
What is the SMILES notation for 2-[(6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol?
The canonical SMILES for 2-[(6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol is CC1=CCC[C@H](C)C12CCC(C(C)(C)O)C2.
What is the InChIKey of 2-[(6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol?
The InChIKey is ICWHTQRTTHCUHW-OPFPJEHXSA-N. The full InChI is InChI=1S/C15H26O/c1-11-6-5-7-12(2)15(11)9-8-13(10-15)14(3,4)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13?,15?/m0/s1.
What are the key properties of 2-[(6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol?
2-[(6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-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 2-[(6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol is sourced from PubChem (CID 5318052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).