(1R,2R,5S,7S,8R,10S)-2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane

C15H24O — CID 98154257

IUPAC(1R,2R,5S,7S,8R,10S)-2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@@H]3C[C@@]12C[C@@H]1O[C@@]13C
InChIInChI=1S/C15H24O/c1-9-5-6-10-13(2,3)11-7-15(9,10)8-12-14(11,4)16-12/h9-12H,5-8H2,1-4H3/t9-,10+,11+,12+,14-,15-/m1/s1
InChIKeyHZRFVTRTTXBHSE-YRLDTQBMSA-N
MW220.36 g/mol
LogP3.63
Rot. Bonds

About (1R,2R,5S,7S,8R,10S)-2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane

(1R,2R,5S,7S,8R,10S)-2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane (PubChem CID 98154257) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,2R,5S,7S,8R,10S)-2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane.

Molecular Properties

Compound Name(1R,2R,5S,7S,8R,10S)-2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane
PubChem CID98154257
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,2R,5S,7S,8R,10S)-2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@@H]3C[C@@]12C[C@@H]1O[C@@]13C
InChIInChI=1S/C15H24O/c1-9-5-6-10-13(2,3)11-7-15(9,10)8-12-14(11,4)16-12/h9-12H,5-8H2,1-4H3/t9-,10+,11+,12+,14-,15-/m1/s1
InChIKeyHZRFVTRTTXBHSE-YRLDTQBMSA-N
XLogP3.63
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2R,5S,7S,8R,10S)-2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane 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,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
7,9,9,13-tetramethyl-5-(2-methylprop-1-enyl)-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
CID 155617527
(1R,3S,7R,8R,10S,13R)-5,7,9,9,13-pentamethyl-5-(prop-1-enoxymethyl)-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
CID 155727827
(1R,3S,7R,8R,10S,13R)-5,7,9,9,13-pentamethyl-5-prop-2-enoxy-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
CID 155727811
(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
(1R,3aR,5S,6R,7aR)-7a-ethyl-1,4,4-trimethyl-2,3,3a,5,6,7-hexahydro-1H-indene-5,6-diol
CID 129073791
(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
(1S,2S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
CID 150596922
(1S,2S,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
CID 1201552

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S,7S,8R,10S)-2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane?
The IUPAC name of (1R,2R,5S,7S,8R,10S)-2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane (CID 98154257) is (1R,2R,5S,7S,8R,10S)-2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane.
What is the SMILES notation for (1R,2R,5S,7S,8R,10S)-2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane?
The canonical SMILES for (1R,2R,5S,7S,8R,10S)-2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane is C[C@@H]1CC[C@H]2C(C)(C)[C@@H]3C[C@@]12C[C@@H]1O[C@@]13C.
What is the InChIKey of (1R,2R,5S,7S,8R,10S)-2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane?
The InChIKey is HZRFVTRTTXBHSE-YRLDTQBMSA-N. The full InChI is InChI=1S/C15H24O/c1-9-5-6-10-13(2,3)11-7-15(9,10)8-12-14(11,4)16-12/h9-12H,5-8H2,1-4H3/t9-,10+,11+,12+,14-,15-/m1/s1.
What are the key properties of (1R,2R,5S,7S,8R,10S)-2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane?
(1R,2R,5S,7S,8R,10S)-2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane has a molecular weight of 220.36 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S,7S,8R,10S)-2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane is sourced from PubChem (CID 98154257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).