(1R,3R,7S,8S,10S,13R)-5,5,9,9,13-pentamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane

C17H28O2 — CID 129062490

IUPAC(1R,3R,7S,8S,10S,13R)-5,5,9,9,13-pentamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@@H]3C[C@@]12C[C@H]1OC(C)(C)O[C@@H]31
InChIInChI=1S/C17H28O2/c1-10-6-7-13-15(2,3)11-8-17(10,13)9-12-14(11)19-16(4,5)18-12/h10-14H,6-9H2,1-5H3/t10-,11-,12-,13+,14+,17-/m1/s1
InChIKeyBOFCVQIHSIFWCJ-SGDAGTBVSA-N
MW264.41 g/mol
LogP3.99
Rot. Bonds

About (1R,3R,7S,8S,10S,13R)-5,5,9,9,13-pentamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane

(1R,3R,7S,8S,10S,13R)-5,5,9,9,13-pentamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane (PubChem CID 129062490) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (1R,3R,7S,8S,10S,13R)-5,5,9,9,13-pentamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane.

Molecular Properties

Compound Name(1R,3R,7S,8S,10S,13R)-5,5,9,9,13-pentamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
PubChem CID129062490
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(1R,3R,7S,8S,10S,13R)-5,5,9,9,13-pentamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@@H]3C[C@@]12C[C@H]1OC(C)(C)O[C@@H]31
InChIInChI=1S/C17H28O2/c1-10-6-7-13-15(2,3)11-8-17(10,13)9-12-14(11)19-16(4,5)18-12/h10-14H,6-9H2,1-5H3/t10-,11-,12-,13+,14+,17-/m1/s1
InChIKeyBOFCVQIHSIFWCJ-SGDAGTBVSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,3R,7S,8S,10S,13R)-5,5,9,9,13-pentamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane with MolForge

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Related Compounds

(1R,3S,7R,8R,10R,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
CID 139598020
(1R,3S,7R,8S,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
CID 88565069
(1R,3S,7S,8S,10S,13S)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
CID 168844007
(1R,2R,5S,7S,8R,10S)-2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane
CID 98154257
[(1R,2R,5S,7R,8S,9S)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undecanyl] acetate
CID 139246777
(1S,2R,5S,7S)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol
CID 67218234
(1R,2S,5R,7R,9R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol
CID 133083101
(1R,3S,5R,7R,8R,10S,13R)-5,7,9,9,13-pentamethyl-5-[(E)-prop-1-enyl]-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
CID 155126102
(1R,3S,5R,7R,8R,10S,13R)-5-but-3-enyl-5,7,9,9,13-pentamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
CID 155138801
methanol;2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane
CID 517651
(3aS,4R,7aR)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 171557152
7,9,9,13-tetramethyl-5-(2-methylprop-1-enyl)-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
CID 155617527

Frequently Asked Questions

What is the IUPAC name of (1R,3R,7S,8S,10S,13R)-5,5,9,9,13-pentamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane?
The IUPAC name of (1R,3R,7S,8S,10S,13R)-5,5,9,9,13-pentamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane (CID 129062490) is (1R,3R,7S,8S,10S,13R)-5,5,9,9,13-pentamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane.
What is the SMILES notation for (1R,3R,7S,8S,10S,13R)-5,5,9,9,13-pentamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane?
The canonical SMILES for (1R,3R,7S,8S,10S,13R)-5,5,9,9,13-pentamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane is C[C@@H]1CC[C@H]2C(C)(C)[C@@H]3C[C@@]12C[C@H]1OC(C)(C)O[C@@H]31.
What is the InChIKey of (1R,3R,7S,8S,10S,13R)-5,5,9,9,13-pentamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane?
The InChIKey is BOFCVQIHSIFWCJ-SGDAGTBVSA-N. The full InChI is InChI=1S/C17H28O2/c1-10-6-7-13-15(2,3)11-8-17(10,13)9-12-14(11)19-16(4,5)18-12/h10-14H,6-9H2,1-5H3/t10-,11-,12-,13+,14+,17-/m1/s1.
What are the key properties of (1R,3R,7S,8S,10S,13R)-5,5,9,9,13-pentamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane?
(1R,3R,7S,8S,10S,13R)-5,5,9,9,13-pentamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane has a molecular weight of 264.41 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,7S,8S,10S,13R)-5,5,9,9,13-pentamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane is sourced from PubChem (CID 129062490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).