(1R,4S,6S,9S,11R)-1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane

C15H24O2 — CID 171348924

IUPAC(1R,4S,6S,9S,11R)-1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane
SMILESC=C(C)[C@H]1CC[C@]2(C)O[C@H]2CC[C@@]2(C)O[C@@H]2C1
InChIInChI=1S/C15H24O2/c1-10(2)11-5-7-14(3)12(16-14)6-8-15(4)13(9-11)17-15/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,14-,15+/m0/s1
InChIKeyKHABZHBBHOVPAK-SBJFKYEJSA-N
MW236.35 g/mol
LogP3.46
Rot. Bonds1

About (1R,4S,6S,9S,11R)-1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane

(1R,4S,6S,9S,11R)-1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane (PubChem CID 171348924) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1R,4S,6S,9S,11R)-1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane.

Molecular Properties

Compound Name(1R,4S,6S,9S,11R)-1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane
PubChem CID171348924
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1R,4S,6S,9S,11R)-1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane
SMILESC=C(C)[C@H]1CC[C@]2(C)O[C@H]2CC[C@@]2(C)O[C@@H]2C1
InChIInChI=1S/C15H24O2/c1-10(2)11-5-7-14(3)12(16-14)6-8-15(4)13(9-11)17-15/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,14-,15+/m0/s1
InChIKeyKHABZHBBHOVPAK-SBJFKYEJSA-N
XLogP3.46
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,4S,6S,9S,11R)-1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,4R,6R,10R,11R)-10-hydroperoxy-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[9.1.0.04,6]dodecane
CID 14607000
(1S,4S,6S,10R,11S)-10-hydroperoxy-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[9.1.0.04,6]dodecane
CID 162973632
(2S,3S)-2-methyl-3-[2-[(2S,3S)-3-methyl-3-[(3R,7S)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxiran-2-yl]ethyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane
CID 162996030
Squalene dioxide
CID 87695084
(1R,4E,8E,12S,14R)-1,5,9-trimethyl-12-(2-methyloxiran-2-yl)-15-oxabicyclo[12.1.0]pentadeca-4,8-diene
CID 5472850
(2S,3S)-2-methyl-2-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]-3-pentyloxirane
CID 135074701
2,2-Dimethyl-3-[2-[2-methyl-3-(3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)oxiran-2-yl]ethyl]oxirane
CID 53686486
2,2-Dimethyl-3-[2-[2-methyl-3-(3-methylidenepent-4-enyl)oxiran-2-yl]ethyl]oxirane
CID 89188797
2-Ethyl-3-[4-[2-ethyl-5-(oxiran-2-yl)pentoxy]pent-4-enyl]oxirane
CID 169882284
2-[1-(Oxiran-2-yl)pent-4-en-2-yl]-2,3,3-tris(prop-2-enyl)oxirane
CID 173429694
1,6-Dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol
CID 5232864
(3S)-2,2-dimethyl-3-[2-[(2R,3S)-2-methyl-3-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]oxiran-2-yl]ethyl]oxirane
CID 10026385

Frequently Asked Questions

What is the IUPAC name of (1R,4S,6S,9S,11R)-1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane?
The IUPAC name of (1R,4S,6S,9S,11R)-1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane (CID 171348924) is (1R,4S,6S,9S,11R)-1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane.
What is the SMILES notation for (1R,4S,6S,9S,11R)-1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane?
The canonical SMILES for (1R,4S,6S,9S,11R)-1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane is C=C(C)[C@H]1CC[C@]2(C)O[C@H]2CC[C@@]2(C)O[C@@H]2C1.
What is the InChIKey of (1R,4S,6S,9S,11R)-1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane?
The InChIKey is KHABZHBBHOVPAK-SBJFKYEJSA-N. The full InChI is InChI=1S/C15H24O2/c1-10(2)11-5-7-14(3)12(16-14)6-8-15(4)13(9-11)17-15/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,14-,15+/m0/s1.
What are the key properties of (1R,4S,6S,9S,11R)-1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane?
(1R,4S,6S,9S,11R)-1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane has a molecular weight of 236.35 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,6S,9S,11R)-1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane is sourced from PubChem (CID 171348924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).