(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-ol

C14H24O2 — CID 70887595

IUPAC(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-ol
SMILESCC1(C)O[C@]23C[C@H]1CC[C@]2(C)CCCC3O
InChIInChI=1S/C14H24O2/c1-12(2)10-6-8-13(3)7-4-5-11(15)14(13,9-10)16-12/h10-11,15H,4-9H2,1-3H3/t10-,11?,13+,14+/m1/s1
InChIKeyBMETWBZNHLNXBC-BHIJKMTCSA-N
MW224.34 g/mol
LogP2.89
Rot. Bonds

About (1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-ol

(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-ol (PubChem CID 70887595) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-ol.

Molecular Properties

Compound Name(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-ol
PubChem CID70887595
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-ol
SMILESCC1(C)O[C@]23C[C@H]1CC[C@]2(C)CCCC3O
InChIInChI=1S/C14H24O2/c1-12(2)10-6-8-13(3)7-4-5-11(15)14(13,9-10)16-12/h10-11,15H,4-9H2,1-3H3/t10-,11?,13+,14+/m1/s1
InChIKeyBMETWBZNHLNXBC-BHIJKMTCSA-N
XLogP2.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-ol?
The IUPAC name of (1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-ol (CID 70887595) is (1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-ol.
What is the SMILES notation for (1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-ol?
The canonical SMILES for (1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-ol is CC1(C)O[C@]23C[C@H]1CC[C@]2(C)CCCC3O.
What is the InChIKey of (1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-ol?
The InChIKey is BMETWBZNHLNXBC-BHIJKMTCSA-N. The full InChI is InChI=1S/C14H24O2/c1-12(2)10-6-8-13(3)7-4-5-11(15)14(13,9-10)16-12/h10-11,15H,4-9H2,1-3H3/t10-,11?,13+,14+/m1/s1.
What are the key properties of (1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-ol?
(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-ol has a molecular weight of 224.34 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-ol is sourced from PubChem (CID 70887595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).