(1S,2S,7S,11S)-2,11-dihydroxytricyclo[9.4.0.02,7]pentadecan-8-one

C15H24O3 — CID 11276807

IUPAC(1S,2S,7S,11S)-2,11-dihydroxytricyclo[9.4.0.02,7]pentadecan-8-one
SMILESO=C1CC[C@@]2(O)CCCC[C@@H]2[C@@]2(O)CCCC[C@H]12
InChIInChI=1S/C15H24O3/c16-12-7-10-14(17)8-3-2-6-13(14)15(18)9-4-1-5-11(12)15/h11,13,17-18H,1-10H2/t11-,13+,14+,15-/m1/s1
InChIKeyQTNLCMMQEJHGAN-UQOMUDLDSA-N
MW252.35 g/mol
LogP2.19
Rot. Bonds

About (1S,2S,7S,11S)-2,11-dihydroxytricyclo[9.4.0.02,7]pentadecan-8-one

(1S,2S,7S,11S)-2,11-dihydroxytricyclo[9.4.0.02,7]pentadecan-8-one (PubChem CID 11276807) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (1S,2S,7S,11S)-2,11-dihydroxytricyclo[9.4.0.02,7]pentadecan-8-one.

Molecular Properties

Compound Name(1S,2S,7S,11S)-2,11-dihydroxytricyclo[9.4.0.02,7]pentadecan-8-one
PubChem CID11276807
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(1S,2S,7S,11S)-2,11-dihydroxytricyclo[9.4.0.02,7]pentadecan-8-one
SMILESO=C1CC[C@@]2(O)CCCC[C@@H]2[C@@]2(O)CCCC[C@H]12
InChIInChI=1S/C15H24O3/c16-12-7-10-14(17)8-3-2-6-13(14)15(18)9-4-1-5-11(12)15/h11,13,17-18H,1-10H2/t11-,13+,14+,15-/m1/s1
InChIKeyQTNLCMMQEJHGAN-UQOMUDLDSA-N
XLogP2.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,7S,11S)-2,11-dihydroxytricyclo[9.4.0.02,7]pentadecan-8-one?
The IUPAC name of (1S,2S,7S,11S)-2,11-dihydroxytricyclo[9.4.0.02,7]pentadecan-8-one (CID 11276807) is (1S,2S,7S,11S)-2,11-dihydroxytricyclo[9.4.0.02,7]pentadecan-8-one.
What is the SMILES notation for (1S,2S,7S,11S)-2,11-dihydroxytricyclo[9.4.0.02,7]pentadecan-8-one?
The canonical SMILES for (1S,2S,7S,11S)-2,11-dihydroxytricyclo[9.4.0.02,7]pentadecan-8-one is O=C1CC[C@@]2(O)CCCC[C@@H]2[C@@]2(O)CCCC[C@H]12.
What is the InChIKey of (1S,2S,7S,11S)-2,11-dihydroxytricyclo[9.4.0.02,7]pentadecan-8-one?
The InChIKey is QTNLCMMQEJHGAN-UQOMUDLDSA-N. The full InChI is InChI=1S/C15H24O3/c16-12-7-10-14(17)8-3-2-6-13(14)15(18)9-4-1-5-11(12)15/h11,13,17-18H,1-10H2/t11-,13+,14+,15-/m1/s1.
What are the key properties of (1S,2S,7S,11S)-2,11-dihydroxytricyclo[9.4.0.02,7]pentadecan-8-one?
(1S,2S,7S,11S)-2,11-dihydroxytricyclo[9.4.0.02,7]pentadecan-8-one has a molecular weight of 252.35 g/mol, XLogP of 2.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,7S,11S)-2,11-dihydroxytricyclo[9.4.0.02,7]pentadecan-8-one is sourced from PubChem (CID 11276807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).