(1S,3S,6S,8S,10R)-9,10-dimethyl-3-propyl-2,7-dioxatricyclo[6.3.1.01,6]dodecane

C15H26O2 — CID 58077834

IUPAC(1S,3S,6S,8S,10R)-9,10-dimethyl-3-propyl-2,7-dioxatricyclo[6.3.1.01,6]dodecane
SMILESCCC[C@H]1CC[C@@H]2O[C@H]3C[C@]2(C[C@@H](C)C3C)O1
InChIInChI=1S/C15H26O2/c1-4-5-12-6-7-14-15(17-12)8-10(2)11(3)13(9-15)16-14/h10-14H,4-9H2,1-3H3/t10-,11?,12+,13+,14+,15+/m1/s1
InChIKeyGBQLXVPJNRNLNW-FJXDBCFVSA-N
MW238.37 g/mol
LogP3.54
Rot. Bonds2

About (1S,3S,6S,8S,10R)-9,10-dimethyl-3-propyl-2,7-dioxatricyclo[6.3.1.01,6]dodecane

(1S,3S,6S,8S,10R)-9,10-dimethyl-3-propyl-2,7-dioxatricyclo[6.3.1.01,6]dodecane (PubChem CID 58077834) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,3S,6S,8S,10R)-9,10-dimethyl-3-propyl-2,7-dioxatricyclo[6.3.1.01,6]dodecane.

Molecular Properties

Compound Name(1S,3S,6S,8S,10R)-9,10-dimethyl-3-propyl-2,7-dioxatricyclo[6.3.1.01,6]dodecane
PubChem CID58077834
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,3S,6S,8S,10R)-9,10-dimethyl-3-propyl-2,7-dioxatricyclo[6.3.1.01,6]dodecane
SMILESCCC[C@H]1CC[C@@H]2O[C@H]3C[C@]2(C[C@@H](C)C3C)O1
InChIInChI=1S/C15H26O2/c1-4-5-12-6-7-14-15(17-12)8-10(2)11(3)13(9-15)16-14/h10-14H,4-9H2,1-3H3/t10-,11?,12+,13+,14+,15+/m1/s1
InChIKeyGBQLXVPJNRNLNW-FJXDBCFVSA-N
XLogP3.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,3S,6S,8S,10R)-9,10-dimethyl-3-propyl-2,7-dioxatricyclo[6.3.1.01,6]dodecane with MolForge

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Related Compounds

1-[(1S,6S,8R,9R,10R)-9,10-dimethyl-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]propan-2-one
CID 122434780
1-[(1S,3R,6S,8R,10R)-9,10-dimethyl-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]propan-2-one
CID 134238063
2-[(8R,9R,11R)-2,7,10-trioxatetracyclo[6.4.1.01,6.09,11]tridecan-3-yl]ethanol
CID 88566895
(1S,5S,7R,9R)-8,9-dimethyl-2,6-dioxatricyclo[5.3.1.01,5]undecan-3-ol
CID 134238067
3-[(1R,3R,8R,10S,13S)-spiro[4,6,9,14-tetraoxatetracyclo[6.6.1.01,10.03,7]pentadecane-5,1'-cyclohexane]-13-yl]propanenitrile
CID 71164105
(1R,3R,7S,8R,10S,13R)-13-(2-isocyanoethyl)spiro[4,6,9,14-tetraoxatetracyclo[6.6.1.01,10.03,7]pentadecane-5,1'-cyclohexane]
CID 123799866
methyl 2-[(1R,3R,6S,8R,9R,11R)-2,7,10-trioxatetracyclo[6.4.1.01,6.09,11]tridecan-3-yl]acetate;2-[(1R,3R,6S,8R,9R,11R)-2,7,10-trioxatetracyclo[6.4.1.01,6.09,11]tridecan-3-yl]ethanol
CID 157377235
methyl (E)-3-[(2R,7aS)-3a-(hydroxymethyl)-5-propyl-2,3,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]prop-2-enoate;(1R,6S,8R)-3-propyl-2,7,10-trioxatricyclo[6.3.1.01,6]dodecan-9-ol
CID 160684160
[(8R,9S)-10-bromo-3-(2-cyanoethyl)-2,7-dioxatricyclo[6.3.1.01,6]dodecan-9-yl] acetate
CID 89180523
[(1R,3S,8R,9S,10S)-10-bromo-3-(2-cyanoethyl)-2,7-dioxatricyclo[6.3.1.01,6]dodecan-9-yl] acetate
CID 139377396
(1S,3S,6S,8R,12S)-3-propyl-2,7,11-trioxatetracyclo[6.4.1.01,6.010,12]tridecan-9-one
CID 58991100
[(3R,6S,8R,9S,10S)-10-bromo-3-(2-isocyanoethyl)-2,7-dioxatricyclo[6.3.1.01,6]dodecan-9-yl] acetate
CID 140685395

Frequently Asked Questions

What is the IUPAC name of (1S,3S,6S,8S,10R)-9,10-dimethyl-3-propyl-2,7-dioxatricyclo[6.3.1.01,6]dodecane?
The IUPAC name of (1S,3S,6S,8S,10R)-9,10-dimethyl-3-propyl-2,7-dioxatricyclo[6.3.1.01,6]dodecane (CID 58077834) is (1S,3S,6S,8S,10R)-9,10-dimethyl-3-propyl-2,7-dioxatricyclo[6.3.1.01,6]dodecane.
What is the SMILES notation for (1S,3S,6S,8S,10R)-9,10-dimethyl-3-propyl-2,7-dioxatricyclo[6.3.1.01,6]dodecane?
The canonical SMILES for (1S,3S,6S,8S,10R)-9,10-dimethyl-3-propyl-2,7-dioxatricyclo[6.3.1.01,6]dodecane is CCC[C@H]1CC[C@@H]2O[C@H]3C[C@]2(C[C@@H](C)C3C)O1.
What is the InChIKey of (1S,3S,6S,8S,10R)-9,10-dimethyl-3-propyl-2,7-dioxatricyclo[6.3.1.01,6]dodecane?
The InChIKey is GBQLXVPJNRNLNW-FJXDBCFVSA-N. The full InChI is InChI=1S/C15H26O2/c1-4-5-12-6-7-14-15(17-12)8-10(2)11(3)13(9-15)16-14/h10-14H,4-9H2,1-3H3/t10-,11?,12+,13+,14+,15+/m1/s1.
What are the key properties of (1S,3S,6S,8S,10R)-9,10-dimethyl-3-propyl-2,7-dioxatricyclo[6.3.1.01,6]dodecane?
(1S,3S,6S,8S,10R)-9,10-dimethyl-3-propyl-2,7-dioxatricyclo[6.3.1.01,6]dodecane has a molecular weight of 238.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,6S,8S,10R)-9,10-dimethyl-3-propyl-2,7-dioxatricyclo[6.3.1.01,6]dodecane is sourced from PubChem (CID 58077834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).