(1R,3S,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-3-ol

C15H24O2 — CID 10014356

IUPAC(1R,3S,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-3-ol
SMILESC=C1CC[C@H]2O[C@]2(C)[C@@H](O)C[C@@H]2[C@@H]1CC2(C)C
InChIInChI=1S/C15H24O2/c1-9-5-6-13-15(4,17-13)12(16)7-11-10(9)8-14(11,2)3/h10-13,16H,1,5-8H2,2-4H3/t10-,11-,12+,13-,15-/m1/s1
InChIKeyFWFSLBQGEMBSLF-ZHZXCYKASA-N
MW236.35 g/mol
LogP2.91
Rot. Bonds

About (1R,3S,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-3-ol

(1R,3S,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-3-ol (PubChem CID 10014356) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1R,3S,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-3-ol.

Molecular Properties

Compound Name(1R,3S,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-3-ol
PubChem CID10014356
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1R,3S,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-3-ol
SMILESC=C1CC[C@H]2O[C@]2(C)[C@@H](O)C[C@@H]2[C@@H]1CC2(C)C
InChIInChI=1S/C15H24O2/c1-9-5-6-13-15(4,17-13)12(16)7-11-10(9)8-14(11,2)3/h10-13,16H,1,5-8H2,2-4H3/t10-,11-,12+,13-,15-/m1/s1
InChIKeyFWFSLBQGEMBSLF-ZHZXCYKASA-N
XLogP2.91
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-3-ol?
The IUPAC name of (1R,3S,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-3-ol (CID 10014356) is (1R,3S,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-3-ol.
What is the SMILES notation for (1R,3S,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-3-ol?
The canonical SMILES for (1R,3S,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-3-ol is C=C1CC[C@H]2O[C@]2(C)[C@@H](O)C[C@@H]2[C@@H]1CC2(C)C.
What is the InChIKey of (1R,3S,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-3-ol?
The InChIKey is FWFSLBQGEMBSLF-ZHZXCYKASA-N. The full InChI is InChI=1S/C15H24O2/c1-9-5-6-13-15(4,17-13)12(16)7-11-10(9)8-14(11,2)3/h10-13,16H,1,5-8H2,2-4H3/t10-,11-,12+,13-,15-/m1/s1.
What are the key properties of (1R,3S,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-3-ol?
(1R,3S,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-3-ol has a molecular weight of 236.35 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-3-ol is sourced from PubChem (CID 10014356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).