(1S,5S,8R,9R)-8-methyl-4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecan-8-ol

C15H26O2 — CID 157258818

IUPAC(1S,5S,8R,9R)-8-methyl-4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecan-8-ol
SMILESCC(C)C1CC[C@]23CO[C@H](C2)[C@](C)(O)CC[C@@H]13
InChIInChI=1S/C15H26O2/c1-10(2)11-4-7-15-8-13(17-9-15)14(3,16)6-5-12(11)15/h10-13,16H,4-9H2,1-3H3/t11?,12-,13+,14+,15+/m0/s1
InChIKeyAXFFEAOIPGRVSB-ADSKKKOISA-N
MW238.37 g/mol
LogP2.99
Rot. Bonds1

About (1S,5S,8R,9R)-8-methyl-4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecan-8-ol

(1S,5S,8R,9R)-8-methyl-4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecan-8-ol (PubChem CID 157258818) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,5S,8R,9R)-8-methyl-4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecan-8-ol.

Molecular Properties

Compound Name(1S,5S,8R,9R)-8-methyl-4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecan-8-ol
PubChem CID157258818
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,5S,8R,9R)-8-methyl-4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecan-8-ol
SMILESCC(C)C1CC[C@]23CO[C@H](C2)[C@](C)(O)CC[C@@H]13
InChIInChI=1S/C15H26O2/c1-10(2)11-4-7-15-8-13(17-9-15)14(3,16)6-5-12(11)15/h10-13,16H,4-9H2,1-3H3/t11?,12-,13+,14+,15+/m0/s1
InChIKeyAXFFEAOIPGRVSB-ADSKKKOISA-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 (1S,5S,8R,9R)-8-methyl-4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecan-8-ol with MolForge

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Related Compounds

5,8-Dimethyl-2-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-7-ol
CID 345471
Daucol
CID 442363
Trichocarane A
CID 21606643
Saniculamoid B
CID 56665185
2,8-Dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane-1,8-diol
CID 163007589
Homalomenol D
CID 101712280
rel-(1R,2S,5R,6R,7R,8R)-5-isopropyl-2,8-dimethyl-11-oxatricyclo[5.3.1.0(2,6)]undecane-1,8-diol
CID 121596197
(1S,2R,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol
CID 15922921
8,9-beta-epoxy CAF-603
CID 72713580
2a,7a-dimethyl-5-propan-2-yl-2,3,4,5a,6,7-hexahydro-1aH-azuleno[5,6-b]oxirene-4,5-diol
CID 73800242
Reneilmol
CID 91895383
(1S,2R,5S,6S,7S,8S)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane-1,8-diol
CID 154496736

Frequently Asked Questions

What is the IUPAC name of (1S,5S,8R,9R)-8-methyl-4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecan-8-ol?
The IUPAC name of (1S,5S,8R,9R)-8-methyl-4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecan-8-ol (CID 157258818) is (1S,5S,8R,9R)-8-methyl-4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecan-8-ol.
What is the SMILES notation for (1S,5S,8R,9R)-8-methyl-4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecan-8-ol?
The canonical SMILES for (1S,5S,8R,9R)-8-methyl-4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecan-8-ol is CC(C)C1CC[C@]23CO[C@H](C2)[C@](C)(O)CC[C@@H]13.
What is the InChIKey of (1S,5S,8R,9R)-8-methyl-4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecan-8-ol?
The InChIKey is AXFFEAOIPGRVSB-ADSKKKOISA-N. The full InChI is InChI=1S/C15H26O2/c1-10(2)11-4-7-15-8-13(17-9-15)14(3,16)6-5-12(11)15/h10-13,16H,4-9H2,1-3H3/t11?,12-,13+,14+,15+/m0/s1.
What are the key properties of (1S,5S,8R,9R)-8-methyl-4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecan-8-ol?
(1S,5S,8R,9R)-8-methyl-4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecan-8-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 (1S,5S,8R,9R)-8-methyl-4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecan-8-ol is sourced from PubChem (CID 157258818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).