(1R,2S,3S,6R,7S,10S)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-3-ol

C15H26O2 — CID 135033059

IUPAC(1R,2S,3S,6R,7S,10S)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-3-ol
SMILESCC(C)[C@@H]1CC[C@]2(C)O[C@H]1[C@@H]1[C@H]2CC[C@]1(C)O
InChIInChI=1S/C15H26O2/c1-9(2)10-5-8-15(4)11-6-7-14(3,16)12(11)13(10)17-15/h9-13,16H,5-8H2,1-4H3/t10-,11+,12-,13+,14-,15-/m0/s1
InChIKeyPEWNHOBTYNZGAR-DEPYFDJDSA-N
MW238.37 g/mol
LogP2.99
Rot. Bonds1

About (1R,2S,3S,6R,7S,10S)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-3-ol

(1R,2S,3S,6R,7S,10S)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-3-ol (PubChem CID 135033059) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R,2S,3S,6R,7S,10S)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-3-ol.

Molecular Properties

Compound Name(1R,2S,3S,6R,7S,10S)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-3-ol
PubChem CID135033059
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R,2S,3S,6R,7S,10S)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-3-ol
SMILESCC(C)[C@@H]1CC[C@]2(C)O[C@H]1[C@@H]1[C@H]2CC[C@]1(C)O
InChIInChI=1S/C15H26O2/c1-9(2)10-5-8-15(4)11-6-7-14(3,16)12(11)13(10)17-15/h9-13,16H,5-8H2,1-4H3/t10-,11+,12-,13+,14-,15-/m0/s1
InChIKeyPEWNHOBTYNZGAR-DEPYFDJDSA-N
XLogP2.99
TPSA29.46 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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2S,3S,6R,7S,10S)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

beta-Kessyl alcohol
CID 131751163
Buchariol
CID 101009028
(1R,2R,3S,6R,7R,8S,10S)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane-3,8-diol
CID 101621382
Homalomenol D
CID 101712280
(1aR,4R,4aS,7R,7aS,7bR)-4,7-dimethyl-1a-propan-2-yl-3,4a,5,6,7a,7b-hexahydro-2H-azuleno[7,8-b]oxirene-4,7-diol
CID 162959514
Orientalol E
CID 637282
(1S,2R,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol
CID 15922921
Chrysothol
CID 16085188
1,5-Dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-5,7-diol
CID 78200744
7,10S-epoxycycloneran-3,15-diol
CID 146682957
7,10R-epoxycycloneran-3,15-diol
CID 146682958
(3S)-2-methyl-5-[(1R,3S,4S,7R)-1,3,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-yl]pentane-2,3-diol
CID 163008999

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,6R,7S,10S)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-3-ol?
The IUPAC name of (1R,2S,3S,6R,7S,10S)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-3-ol (CID 135033059) is (1R,2S,3S,6R,7S,10S)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-3-ol.
What is the SMILES notation for (1R,2S,3S,6R,7S,10S)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-3-ol?
The canonical SMILES for (1R,2S,3S,6R,7S,10S)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-3-ol is CC(C)[C@@H]1CC[C@]2(C)O[C@H]1[C@@H]1[C@H]2CC[C@]1(C)O.
What is the InChIKey of (1R,2S,3S,6R,7S,10S)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-3-ol?
The InChIKey is PEWNHOBTYNZGAR-DEPYFDJDSA-N. The full InChI is InChI=1S/C15H26O2/c1-9(2)10-5-8-15(4)11-6-7-14(3,16)12(11)13(10)17-15/h9-13,16H,5-8H2,1-4H3/t10-,11+,12-,13+,14-,15-/m0/s1.
What are the key properties of (1R,2S,3S,6R,7S,10S)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-3-ol?
(1R,2S,3S,6R,7S,10S)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-3-ol has a molecular weight of 238.37 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,6R,7S,10S)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-3-ol is sourced from PubChem (CID 135033059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).