2-[(1S,3R,6S,7S,10S)-6,10-dimethyl-11-oxatricyclo[5.3.1.01,7]undecan-3-yl]propan-2-ol

C15H26O2 — CID 139086762

IUPAC2-[(1S,3R,6S,7S,10S)-6,10-dimethyl-11-oxatricyclo[5.3.1.01,7]undecan-3-yl]propan-2-ol
SMILESC[C@H]1CC[C@@H](C(C)(C)O)C[C@@]23O[C@@]12CC[C@@H]3C
InChIInChI=1S/C15H26O2/c1-10-5-6-12(13(3,4)16)9-15-11(2)7-8-14(10,15)17-15/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14-,15-/m0/s1
InChIKeyZLTJNMGRSFNNFA-QIRZIZBZSA-N
MW238.37 g/mol
LogP3.13
Rot. Bonds1

About 2-[(1S,3R,6S,7S,10S)-6,10-dimethyl-11-oxatricyclo[5.3.1.01,7]undecan-3-yl]propan-2-ol

2-[(1S,3R,6S,7S,10S)-6,10-dimethyl-11-oxatricyclo[5.3.1.01,7]undecan-3-yl]propan-2-ol (PubChem CID 139086762) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[(1S,3R,6S,7S,10S)-6,10-dimethyl-11-oxatricyclo[5.3.1.01,7]undecan-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(1S,3R,6S,7S,10S)-6,10-dimethyl-11-oxatricyclo[5.3.1.01,7]undecan-3-yl]propan-2-ol
PubChem CID139086762
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-[(1S,3R,6S,7S,10S)-6,10-dimethyl-11-oxatricyclo[5.3.1.01,7]undecan-3-yl]propan-2-ol
SMILESC[C@H]1CC[C@@H](C(C)(C)O)C[C@@]23O[C@@]12CC[C@@H]3C
InChIInChI=1S/C15H26O2/c1-10-5-6-12(13(3,4)16)9-15-11(2)7-8-14(10,15)17-15/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14-,15-/m0/s1
InChIKeyZLTJNMGRSFNNFA-QIRZIZBZSA-N
XLogP3.13
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 10911607
2-[(6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol
CID 5318052
2-[(5R,6R)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol
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(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
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CID 40512915
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CID 126587376
2-cyclooctylpropan-2-ol
CID 27966
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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3R,6S,7S,10S)-6,10-dimethyl-11-oxatricyclo[5.3.1.01,7]undecan-3-yl]propan-2-ol?
The IUPAC name of 2-[(1S,3R,6S,7S,10S)-6,10-dimethyl-11-oxatricyclo[5.3.1.01,7]undecan-3-yl]propan-2-ol (CID 139086762) is 2-[(1S,3R,6S,7S,10S)-6,10-dimethyl-11-oxatricyclo[5.3.1.01,7]undecan-3-yl]propan-2-ol.
What is the SMILES notation for 2-[(1S,3R,6S,7S,10S)-6,10-dimethyl-11-oxatricyclo[5.3.1.01,7]undecan-3-yl]propan-2-ol?
The canonical SMILES for 2-[(1S,3R,6S,7S,10S)-6,10-dimethyl-11-oxatricyclo[5.3.1.01,7]undecan-3-yl]propan-2-ol is C[C@H]1CC[C@@H](C(C)(C)O)C[C@@]23O[C@@]12CC[C@@H]3C.
What is the InChIKey of 2-[(1S,3R,6S,7S,10S)-6,10-dimethyl-11-oxatricyclo[5.3.1.01,7]undecan-3-yl]propan-2-ol?
The InChIKey is ZLTJNMGRSFNNFA-QIRZIZBZSA-N. The full InChI is InChI=1S/C15H26O2/c1-10-5-6-12(13(3,4)16)9-15-11(2)7-8-14(10,15)17-15/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14-,15-/m0/s1.
What are the key properties of 2-[(1S,3R,6S,7S,10S)-6,10-dimethyl-11-oxatricyclo[5.3.1.01,7]undecan-3-yl]propan-2-ol?
2-[(1S,3R,6S,7S,10S)-6,10-dimethyl-11-oxatricyclo[5.3.1.01,7]undecan-3-yl]propan-2-ol has a molecular weight of 238.37 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3R,6S,7S,10S)-6,10-dimethyl-11-oxatricyclo[5.3.1.01,7]undecan-3-yl]propan-2-ol is sourced from PubChem (CID 139086762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).