(1R,7S,8S)-7-(hydroxymethyl)-2,2,7-trimethyltricyclo[6.2.1.01,6]undec-5-en-4-one

C15H22O2 — CID 11817184

IUPAC(1R,7S,8S)-7-(hydroxymethyl)-2,2,7-trimethyltricyclo[6.2.1.01,6]undec-5-en-4-one
SMILESCC1(C)CC(=O)C=C2[C@@]13CC[C@@H](C3)[C@]2(C)CO
InChIInChI=1S/C15H22O2/c1-13(2)8-11(17)6-12-14(3,9-16)10-4-5-15(12,13)7-10/h6,10,16H,4-5,7-9H2,1-3H3/t10-,14-,15-/m0/s1
InChIKeyNVSDZDPBMDXXPW-LKTVYLICSA-N
MW234.34 g/mol
LogP2.71
Rot. Bonds1

About (1R,7S,8S)-7-(hydroxymethyl)-2,2,7-trimethyltricyclo[6.2.1.01,6]undec-5-en-4-one

(1R,7S,8S)-7-(hydroxymethyl)-2,2,7-trimethyltricyclo[6.2.1.01,6]undec-5-en-4-one (PubChem CID 11817184) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1R,7S,8S)-7-(hydroxymethyl)-2,2,7-trimethyltricyclo[6.2.1.01,6]undec-5-en-4-one.

Molecular Properties

Compound Name(1R,7S,8S)-7-(hydroxymethyl)-2,2,7-trimethyltricyclo[6.2.1.01,6]undec-5-en-4-one
PubChem CID11817184
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1R,7S,8S)-7-(hydroxymethyl)-2,2,7-trimethyltricyclo[6.2.1.01,6]undec-5-en-4-one
SMILESCC1(C)CC(=O)C=C2[C@@]13CC[C@@H](C3)[C@]2(C)CO
InChIInChI=1S/C15H22O2/c1-13(2)8-11(17)6-12-14(3,9-16)10-4-5-15(12,13)7-10/h6,10,16H,4-5,7-9H2,1-3H3/t10-,14-,15-/m0/s1
InChIKeyNVSDZDPBMDXXPW-LKTVYLICSA-N
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,7S,8S)-7-(hydroxymethyl)-2,2,7-trimethyltricyclo[6.2.1.01,6]undec-5-en-4-one?
The IUPAC name of (1R,7S,8S)-7-(hydroxymethyl)-2,2,7-trimethyltricyclo[6.2.1.01,6]undec-5-en-4-one (CID 11817184) is (1R,7S,8S)-7-(hydroxymethyl)-2,2,7-trimethyltricyclo[6.2.1.01,6]undec-5-en-4-one.
What is the SMILES notation for (1R,7S,8S)-7-(hydroxymethyl)-2,2,7-trimethyltricyclo[6.2.1.01,6]undec-5-en-4-one?
The canonical SMILES for (1R,7S,8S)-7-(hydroxymethyl)-2,2,7-trimethyltricyclo[6.2.1.01,6]undec-5-en-4-one is CC1(C)CC(=O)C=C2[C@@]13CC[C@@H](C3)[C@]2(C)CO.
What is the InChIKey of (1R,7S,8S)-7-(hydroxymethyl)-2,2,7-trimethyltricyclo[6.2.1.01,6]undec-5-en-4-one?
The InChIKey is NVSDZDPBMDXXPW-LKTVYLICSA-N. The full InChI is InChI=1S/C15H22O2/c1-13(2)8-11(17)6-12-14(3,9-16)10-4-5-15(12,13)7-10/h6,10,16H,4-5,7-9H2,1-3H3/t10-,14-,15-/m0/s1.
What are the key properties of (1R,7S,8S)-7-(hydroxymethyl)-2,2,7-trimethyltricyclo[6.2.1.01,6]undec-5-en-4-one?
(1R,7S,8S)-7-(hydroxymethyl)-2,2,7-trimethyltricyclo[6.2.1.01,6]undec-5-en-4-one has a molecular weight of 234.34 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7S,8S)-7-(hydroxymethyl)-2,2,7-trimethyltricyclo[6.2.1.01,6]undec-5-en-4-one is sourced from PubChem (CID 11817184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).