(5S,13S)-5,9,13-trimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-4-ol

C15H22O2 — CID 70964022

IUPAC(5S,13S)-5,9,13-trimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-4-ol
SMILESCC1C(O)C=CC23CC4[C@H](C)C(OC4(C)C2)C13
InChIInChI=1S/C15H22O2/c1-8-10-6-15-5-4-11(16)9(2)12(15)13(8)17-14(10,3)7-15/h4-5,8-13,16H,6-7H2,1-3H3/t8-,9?,10?,11?,12?,13?,14?,15?/m0/s1
InChIKeyJUMPRFTYBZMYSI-COJQGFBXSA-N
MW234.34 g/mol
LogP2.37
Rot. Bonds

About (5S,13S)-5,9,13-trimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-4-ol

(5S,13S)-5,9,13-trimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-4-ol (PubChem CID 70964022) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (5S,13S)-5,9,13-trimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-4-ol.

Molecular Properties

Compound Name(5S,13S)-5,9,13-trimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-4-ol
PubChem CID70964022
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(5S,13S)-5,9,13-trimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-4-ol
SMILESCC1C(O)C=CC23CC4[C@H](C)C(OC4(C)C2)C13
InChIInChI=1S/C15H22O2/c1-8-10-6-15-5-4-11(16)9(2)12(15)13(8)17-14(10,3)7-15/h4-5,8-13,16H,6-7H2,1-3H3/t8-,9?,10?,11?,12?,13?,14?,15?/m0/s1
InChIKeyJUMPRFTYBZMYSI-COJQGFBXSA-N
XLogP2.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (5S,13S)-5,9,13-trimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-4-ol?
The IUPAC name of (5S,13S)-5,9,13-trimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-4-ol (CID 70964022) is (5S,13S)-5,9,13-trimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-4-ol.
What is the SMILES notation for (5S,13S)-5,9,13-trimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-4-ol?
The canonical SMILES for (5S,13S)-5,9,13-trimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-4-ol is CC1C(O)C=CC23CC4[C@H](C)C(OC4(C)C2)C13.
What is the InChIKey of (5S,13S)-5,9,13-trimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-4-ol?
The InChIKey is JUMPRFTYBZMYSI-COJQGFBXSA-N. The full InChI is InChI=1S/C15H22O2/c1-8-10-6-15-5-4-11(16)9(2)12(15)13(8)17-14(10,3)7-15/h4-5,8-13,16H,6-7H2,1-3H3/t8-,9?,10?,11?,12?,13?,14?,15?/m0/s1.
What are the key properties of (5S,13S)-5,9,13-trimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-4-ol?
(5S,13S)-5,9,13-trimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-4-ol has a molecular weight of 234.34 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,13S)-5,9,13-trimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-4-ol is sourced from PubChem (CID 70964022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).