(2R)-2-[(1R,2S,6R,7S)-1,10,10-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-yl]propan-1-ol

C14H24O3 — CID 134878024

IUPAC(2R)-2-[(1R,2S,6R,7S)-1,10,10-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-yl]propan-1-ol
SMILESC[C@H](CO)C1O[C@@H]2[C@H]3CC[C@@](C)([C@@H]2O1)C3(C)C
InChIInChI=1S/C14H24O3/c1-8(7-15)12-16-10-9-5-6-14(4,11(10)17-12)13(9,2)3/h8-12,15H,5-7H2,1-4H3/t8-,9-,10-,11-,12?,14+/m1/s1
InChIKeyAYBIIHNJBHANJA-BXEPDFDFSA-N
MW240.34 g/mol
LogP2.18
Rot. Bonds2

About (2R)-2-[(1R,2S,6R,7S)-1,10,10-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-yl]propan-1-ol

(2R)-2-[(1R,2S,6R,7S)-1,10,10-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-yl]propan-1-ol (PubChem CID 134878024) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (2R)-2-[(1R,2S,6R,7S)-1,10,10-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(1R,2S,6R,7S)-1,10,10-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-yl]propan-1-ol
PubChem CID134878024
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(2R)-2-[(1R,2S,6R,7S)-1,10,10-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-yl]propan-1-ol
SMILESC[C@H](CO)C1O[C@@H]2[C@H]3CC[C@@](C)([C@@H]2O1)C3(C)C
InChIInChI=1S/C14H24O3/c1-8(7-15)12-16-10-9-5-6-14(4,11(10)17-12)13(9,2)3/h8-12,15H,5-7H2,1-4H3/t8-,9-,10-,11-,12?,14+/m1/s1
InChIKeyAYBIIHNJBHANJA-BXEPDFDFSA-N
XLogP2.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(1R,2S,6R,7S)-1,10,10-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-yl]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R,2S,6R,7S)-1,10,10-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-yl]propan-1-ol?
The IUPAC name of (2R)-2-[(1R,2S,6R,7S)-1,10,10-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-yl]propan-1-ol (CID 134878024) is (2R)-2-[(1R,2S,6R,7S)-1,10,10-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-[(1R,2S,6R,7S)-1,10,10-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-yl]propan-1-ol?
The canonical SMILES for (2R)-2-[(1R,2S,6R,7S)-1,10,10-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-yl]propan-1-ol is C[C@H](CO)C1O[C@@H]2[C@H]3CC[C@@](C)([C@@H]2O1)C3(C)C.
What is the InChIKey of (2R)-2-[(1R,2S,6R,7S)-1,10,10-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-yl]propan-1-ol?
The InChIKey is AYBIIHNJBHANJA-BXEPDFDFSA-N. The full InChI is InChI=1S/C14H24O3/c1-8(7-15)12-16-10-9-5-6-14(4,11(10)17-12)13(9,2)3/h8-12,15H,5-7H2,1-4H3/t8-,9-,10-,11-,12?,14+/m1/s1.
What are the key properties of (2R)-2-[(1R,2S,6R,7S)-1,10,10-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-yl]propan-1-ol?
(2R)-2-[(1R,2S,6R,7S)-1,10,10-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-yl]propan-1-ol has a molecular weight of 240.34 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R,2S,6R,7S)-1,10,10-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-yl]propan-1-ol is sourced from PubChem (CID 134878024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).