(1R,3R,7S,8S)-2,2,8-trimethyltricyclo[5.3.1.03,8]undec-5-en-3-ol

C14H22O — CID 11830601

IUPAC(1R,3R,7S,8S)-2,2,8-trimethyltricyclo[5.3.1.03,8]undec-5-en-3-ol
SMILESCC1(C)[C@@H]2CC[C@@]3(C)[C@H](C=CC[C@@]13O)C2
InChIInChI=1S/C14H22O/c1-12(2)10-6-8-13(3)11(9-10)5-4-7-14(12,13)15/h4-5,10-11,15H,6-9H2,1-3H3/t10-,11-,13+,14-/m1/s1
InChIKeyOSQSDJNIURJARY-MHDGFBEUSA-N
MW206.33 g/mol
LogP3.14
Rot. Bonds

About (1R,3R,7S,8S)-2,2,8-trimethyltricyclo[5.3.1.03,8]undec-5-en-3-ol

(1R,3R,7S,8S)-2,2,8-trimethyltricyclo[5.3.1.03,8]undec-5-en-3-ol (PubChem CID 11830601) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (1R,3R,7S,8S)-2,2,8-trimethyltricyclo[5.3.1.03,8]undec-5-en-3-ol.

Molecular Properties

Compound Name(1R,3R,7S,8S)-2,2,8-trimethyltricyclo[5.3.1.03,8]undec-5-en-3-ol
PubChem CID11830601
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(1R,3R,7S,8S)-2,2,8-trimethyltricyclo[5.3.1.03,8]undec-5-en-3-ol
SMILESCC1(C)[C@@H]2CC[C@@]3(C)[C@H](C=CC[C@@]13O)C2
InChIInChI=1S/C14H22O/c1-12(2)10-6-8-13(3)11(9-10)5-4-7-14(12,13)15/h4-5,10-11,15H,6-9H2,1-3H3/t10-,11-,13+,14-/m1/s1
InChIKeyOSQSDJNIURJARY-MHDGFBEUSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,7S,8S)-2,2,8-trimethyltricyclo[5.3.1.03,8]undec-5-en-3-ol?
The IUPAC name of (1R,3R,7S,8S)-2,2,8-trimethyltricyclo[5.3.1.03,8]undec-5-en-3-ol (CID 11830601) is (1R,3R,7S,8S)-2,2,8-trimethyltricyclo[5.3.1.03,8]undec-5-en-3-ol.
What is the SMILES notation for (1R,3R,7S,8S)-2,2,8-trimethyltricyclo[5.3.1.03,8]undec-5-en-3-ol?
The canonical SMILES for (1R,3R,7S,8S)-2,2,8-trimethyltricyclo[5.3.1.03,8]undec-5-en-3-ol is CC1(C)[C@@H]2CC[C@@]3(C)[C@H](C=CC[C@@]13O)C2.
What is the InChIKey of (1R,3R,7S,8S)-2,2,8-trimethyltricyclo[5.3.1.03,8]undec-5-en-3-ol?
The InChIKey is OSQSDJNIURJARY-MHDGFBEUSA-N. The full InChI is InChI=1S/C14H22O/c1-12(2)10-6-8-13(3)11(9-10)5-4-7-14(12,13)15/h4-5,10-11,15H,6-9H2,1-3H3/t10-,11-,13+,14-/m1/s1.
What are the key properties of (1R,3R,7S,8S)-2,2,8-trimethyltricyclo[5.3.1.03,8]undec-5-en-3-ol?
(1R,3R,7S,8S)-2,2,8-trimethyltricyclo[5.3.1.03,8]undec-5-en-3-ol has a molecular weight of 206.33 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,7S,8S)-2,2,8-trimethyltricyclo[5.3.1.03,8]undec-5-en-3-ol is sourced from PubChem (CID 11830601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).