(1R,4S,6R,7R,8S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol

C15H26O3 — CID 162956571

IUPAC(1R,4S,6R,7R,8S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol
SMILESCC(C)[C@@H]1CCC2(C)O[C@@H]2CC[C@]2(C)O[C@@H]2[C@@H]1O
InChIInChI=1S/C15H26O3/c1-9(2)10-5-7-14(3)11(17-14)6-8-15(4)13(18-15)12(10)16/h9-13,16H,5-8H2,1-4H3/t10-,11+,12+,13+,14?,15-/m0/s1
InChIKeyCZZAIHWBOUXBPS-OSPGSZEGSA-N
MW254.37 g/mol
LogP2.51
Rot. Bonds1

About (1R,4S,6R,7R,8S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol

(1R,4S,6R,7R,8S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol (PubChem CID 162956571) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (1R,4S,6R,7R,8S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol.

Molecular Properties

Compound Name(1R,4S,6R,7R,8S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol
PubChem CID162956571
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(1R,4S,6R,7R,8S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol
SMILESCC(C)[C@@H]1CCC2(C)O[C@@H]2CC[C@]2(C)O[C@@H]2[C@@H]1O
InChIInChI=1S/C15H26O3/c1-9(2)10-5-7-14(3)11(17-14)6-8-15(4)13(18-15)12(10)16/h9-13,16H,5-8H2,1-4H3/t10-,11+,12+,13+,14?,15-/m0/s1
InChIKeyCZZAIHWBOUXBPS-OSPGSZEGSA-N
XLogP2.51
TPSA45.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,4S,6R,7R,8S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol with MolForge

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Launch Full Analysis

Related Compounds

(1S,2R,4S,6S,7R,8S,11S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol
CID 15699881
(1R,4S,6R,7R,8S,11S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol
CID 124708193
(1S,2R,4S,6R,7R,8S,11R)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol
CID 162947835
(1S,4S,6R,7R,8S,11R)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol
CID 162956578
(1R,2R,4S,6R,7R,8S,11S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol
CID 163185225
Npc150445
CID 537453
(1R,4R,6R,7R,8S,9R,11S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-7,9-diol
CID 162932334
(1R,4S,6R,7R,8S,11S)-4-methyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol
CID 163185311
Oxiranemethanol, 3-[2-(3,3-dimethyloxiranyl)ethyl]-3-methyl-
CID 10965234
Toblerol A
CID 138966608
Triglycidyl glycerol
CID 54023025
3-[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]methyl]oxiran-2-yl]methyl]oxiran-2-yl]propan-1-ol
CID 11046603

Frequently Asked Questions

What is the IUPAC name of (1R,4S,6R,7R,8S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol?
The IUPAC name of (1R,4S,6R,7R,8S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol (CID 162956571) is (1R,4S,6R,7R,8S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol.
What is the SMILES notation for (1R,4S,6R,7R,8S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol?
The canonical SMILES for (1R,4S,6R,7R,8S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol is CC(C)[C@@H]1CCC2(C)O[C@@H]2CC[C@]2(C)O[C@@H]2[C@@H]1O.
What is the InChIKey of (1R,4S,6R,7R,8S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol?
The InChIKey is CZZAIHWBOUXBPS-OSPGSZEGSA-N. The full InChI is InChI=1S/C15H26O3/c1-9(2)10-5-7-14(3)11(17-14)6-8-15(4)13(18-15)12(10)16/h9-13,16H,5-8H2,1-4H3/t10-,11+,12+,13+,14?,15-/m0/s1.
What are the key properties of (1R,4S,6R,7R,8S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol?
(1R,4S,6R,7R,8S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol has a molecular weight of 254.37 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,6R,7R,8S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol is sourced from PubChem (CID 162956571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).